2-[(E)-2-cyano-1-[(3,4-dimethylphenyl)amino]-3-oxidanylidene-3-pyrrolidin-1-yl-prop-1-enyl]sulfanyl-N-naphthalen-2-yl-ethanamide

Systemtic Name: 2-[(E)-2-cyano-1-[(3,4-dimethylphenyl)amino]-3-oxidanylidene-3-pyrrolidin-1-yl-prop-1-enyl]sulfanyl-N-naphthalen-2-yl-ethanamide Openeye Name: 2-[(E)-2-cyano-1-(3,4-dimethylanilino)-3-oxo-3-pyrrolidin-1-yl-prop-1-enyl]sulfanyl-N-(2-naphthyl)acetamide CAS Name: 2-[[(E)-2-cyano-1-(3,4-dimethylanilino)-3-oxo-3-(1-pyrrolidinyl)prop-1-enyl]thio]-N-(2-naphthalenyl)acetamide IUPAC Name: 2-[(E)-2-cyano-1-(3,4-dimethylanilino)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]sulfanyl-N-naphthalen-2-ylacetamide Traditional Name: 2-[[(E)-2-cyano-1-(3,4-dimethylanilino)-3-keto-3-pyrrolidino-prop-1-enyl]thio]-N-(2-naphthyl)acetamide Formula: C28H28N4O2S MolecularWeight: 484.61252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=C(C#N)C(=O)N2CCCC2)SCC(=O)NC3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N/C(=C(/C#N)\C(=O)N2CCCC2)/SCC(=O)NC3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C28H28N4O2S/c1-19-9-11-23(15-20(19)2)31-27(25(17-29)28(34)32-13-5-6-14-32)35-18-26(33)30-24-12-10-21-7-3-4-8-22(21)16-24/h3-4,7-12,15-16,31H,5-6,13-14,18H2,1-2H3,(H,30,33)/b27-25+