ethyl 2-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[(4-methyl-2-quinolyl)sulfanyl]butanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxobutyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[2-[(4-methyl-2-quinolyl)thio]butanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H26N2O3S2 MolecularWeight: 490.63694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC)SC3=NC4=CC=CC=C4C(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC)SC3=NC4=CC=CC=C4C(=C3)C

InChI

InChI=1S/C27H26N2O3S2/c1-4-22(34-23-15-17(3)19-13-9-10-14-21(19)28-23)25(30)29-26-24(27(31)32-5-2)20(16-33-26)18-11-7-6-8-12-18/h6-16,22H,4-5H2,1-3H3,(H,29,30)