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

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-[2-[(phenylmethyl)amino]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(benzylamino)acetyl]amino]-4-(4-chlorophenyl)thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[1-oxo-2-[(phenylmethyl)amino]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(benzylamino)acetyl]amino]-4-(4-chlorophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(benzylamino)acetyl]amino]-4-(4-chlorophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H21ClN2O3S MolecularWeight: 428.93174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)CNCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)CNCC3=CC=CC=C3

InChI

InChI=1S/C22H21ClN2O3S/c1-2-28-22(27)20-18(16-8-10-17(23)11-9-16)14-29-21(20)25-19(26)13-24-12-15-6-4-3-5-7-15/h3-11,14,24H,2,12-13H2,1H3,(H,25,26)