2-Thiophenecarboxylicacid, 3-[[[4-(acetylamino)phenyl]thio]methyl]-5-amino-4-cyano-, ethyl ester (1180837-73-3)

The 3-[[[4-(Acetylamino)phenyl]thio]methyl]-5-amino-4-cyano-2-thiophenecarboxylic acid ethyl ester with the CAS number 1180837-73-3 is also called 2-Thiophenecarboxylicacid, 3-[[[4-(acetylamino)phenyl]thio]methyl]-5-amino-4-cyano-, ethyl ester. The systematic name is ethyl 3-({[4-(acetylamino)phenyl]sulfanyl}methyl)-5-amino-4-cyanothiophene-2-carboxylate. Its molecular formula is C₁₇H₁₇N₃O₃S₂.

The properties of the chemical are: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 6; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 158.75 Å²; (7)Index of Refraction: 1.65; (8)Molar Refractivity: 99.197 cm³; (9)Molar Volume: 271.979 cm³; (10)olarizability: 39.325×10^-24cm³; (11)Surface Tension: 69.784 dyne/cm; (12)Enthalpy of Vaporization: 98.769 kJ/mol; (13)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c(c(sc1N)C(=O)OCC)CSc2ccc(NC(=O)C)cc2
(2)InChI: InChI=1/C17H17N3O3S2/c1-3-23-17(22)15-14(13(8-18)16(19)25-15)9-24-12-6-4-11(5-7-12)20-10(2)21/h4-7H,3,9,19H2,1-2H3,(H,20,21)
(3)InChIKey: FSLBTHYKXMJDTR-UHFFFAOYAF