[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-propenoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=C(C#N)C(=O)OCC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C(\C#N)/C(=O)OCC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C22H23N3O3S/c1-14-10-16(15(2)25(14)18-8-9-18)11-17(12-23)22(27)28-13-21(26)24-19-6-4-5-7-20(19)29-3/h4-7,10-11,18H,8-9,13H2,1-3H3,(H,24,26)/b17-11+