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

Systemtic Name: ethyl 4-(2-chlorophenyl)-2-[2-[(3-cyanophenyl)amino]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(2-chlorophenyl)-2-[[2-(3-cyanoanilino)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-chlorophenyl)-2-[[2-(3-cyanoanilino)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chlorophenyl)-2-[[2-(3-cyanoanilino)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-2-[[2-(3-cyanoanilino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)CNC3=CC=CC(=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)CNC3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H18ClN3O3S/c1-2-29-22(28)20-17(16-8-3-4-9-18(16)23)13-30-21(20)26-19(27)12-25-15-7-5-6-14(10-15)11-24/h3-10,13,25H,2,12H2,1H3,(H,26,27)