ethyl 4-(2-chlorophenyl)-2-[2-(diphenethylamino)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2-chlorophenyl)-2-[2-(diphenethylamino)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(2-chlorophenyl)-2-[[2-(diphenethylamino)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-chlorophenyl)-2-[[2-(diphenethylamino)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chlorophenyl)-2-[[2-(diphenethylamino)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-2-[[2-(diphenethylamino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C31H31ClN2O3S MolecularWeight: 547.10744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)CN(CCC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)CN(CCC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C31H31ClN2O3S/c1-2-37-31(36)29-26(25-15-9-10-16-27(25)32)22-38-30(29)33-28(35)21-34(19-17-23-11-5-3-6-12-23)20-18-24-13-7-4-8-14-24/h3-16,22H,2,17-21H2,1H3,(H,33,35)