ethyl 4-(4-chlorophenyl)-2-(3-quinolin-2-ylsulfanylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-(3-quinolin-2-ylsulfanylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-[3-(2-quinolylsulfanyl)propanoylamino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[1-oxo-3-(2-quinolinylthio)propyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-(3-quinolin-2-ylsulfanylpropanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[3-(2-quinolylthio)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C25H21ClN2O3S2 MolecularWeight: 497.02884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)CCSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)CCSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H21ClN2O3S2/c1-2-31-25(30)23-19(16-7-10-18(26)11-8-16)15-33-24(23)28-21(29)13-14-32-22-12-9-17-5-3-4-6-20(17)27-22/h3-12,15H,2,13-14H2,1H3,(H,28,29)