[2-[[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate

Systemtic Name: [2-[[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate Openeye Name: [2-[(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [2-[[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl] 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [2-[(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CC=CC=C2SC)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CC=CC=C2SC)CC3=CC=CC=C3)C

InChI

InChI=1S/C24H23N3O3S/c1-16-17(2)27(14-18-9-5-4-6-10-18)23(20(16)13-25)26-22(28)15-30-24(29)19-11-7-8-12-21(19)31-3/h4-12H,14-15H2,1-3H3,(H,26,28)