methyl 5-(4-chlorophenyl)-3-[(phenylmethyl)amino]thiophene-2-carboxylate

Systemtic Name: methyl 5-(4-chlorophenyl)-3-[(phenylmethyl)amino]thiophene-2-carboxylate Openeye Name: methyl 3-(benzylamino)-5-(4-chlorophenyl)thiophene-2-carboxylate CAS Name: 5-(4-chlorophenyl)-3-[(phenylmethyl)amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(benzylamino)-5-(4-chlorophenyl)thiophene-2-carboxylate Traditional Name: 3-(benzylamino)-5-(4-chlorophenyl)thiophene-2-carboxylic acid methyl ester Formula: C19H16ClNO2S MolecularWeight: 357.85384

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NCC3=CC=CC=C3

InChI

InChI=1S/C19H16ClNO2S/c1-23-19(22)18-16(21-12-13-5-3-2-4-6-13)11-17(24-18)14-7-9-15(20)10-8-14/h2-11,21H,12H2,1H3