[2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)sulfanylethanoate

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)sulfanylethanoate Openeye Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 2-(4-chlorophenyl)sulfanylacetate CAS Name: 2-[(4-chlorophenyl)thio]acetic acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)amino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate Traditional Name: 2-[(4-chlorophenyl)thio]acetic acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C23H20ClN3O3S MolecularWeight: 453.9412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)CSC2=CC=C(C=C2)Cl)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)CSC2=CC=C(C=C2)Cl)C3=CC=CC=C3)C

InChI

InChI=1S/C23H20ClN3O3S/c1-15-16(2)27(18-6-4-3-5-7-18)23(20(15)12-25)26-21(28)13-30-22(29)14-31-19-10-8-17(24)9-11-19/h3-11H,13-14H2,1-2H3,(H,26,28)