methyl 3-[[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylamino]-4-cyano-1-methyl-pyrrole-2-carboxylate

Systemtic Name: methyl 3-[[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylamino]-4-cyano-1-methyl-pyrrole-2-carboxylate Openeye Name: methyl 3-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]-4-cyano-1-methyl-pyrrole-2-carboxylate CAS Name: 3-[[[4-[[(4-chlorophenyl)thio]methyl]phenyl]-oxomethyl]amino]-4-cyano-1-methyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]-4-cyano-1-methylpyrrole-2-carboxylate Traditional Name: 3-[[4-[[(4-chlorophenyl)thio]methyl]benzoyl]amino]-4-cyano-1-methyl-pyrrole-2-carboxylic acid methyl ester Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CN1C=C(C(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl)C#N

InChI

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