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

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic 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] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)SC)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)SC)C3=CC=CC=C3)C

InChI

InChI=1S/C26H25N3O4S/c1-17-18(2)29(20-7-5-4-6-8-20)26(22(17)15-27)28-24(31)16-33-25(32)14-13-23(30)19-9-11-21(34-3)12-10-19/h4-12H,13-14,16H2,1-3H3,(H,28,31)