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

Systemtic Name: 2-[(E)-1-[(4-chlorophenyl)amino]-2-cyano-3-oxidanylidene-3-pyrrolidin-1-yl-prop-1-enyl]sulfanyl-N-naphthalen-2-yl-ethanamide Openeye Name: 2-[(E)-1-(4-chloroanilino)-2-cyano-3-oxo-3-pyrrolidin-1-yl-prop-1-enyl]sulfanyl-N-(2-naphthyl)acetamide CAS Name: 2-[[(E)-1-(4-chloroanilino)-2-cyano-3-oxo-3-(1-pyrrolidinyl)prop-1-enyl]thio]-N-(2-naphthalenyl)acetamide IUPAC Name: 2-[(E)-1-(4-chloroanilino)-2-cyano-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]sulfanyl-N-naphthalen-2-ylacetamide Traditional Name: 2-[[(E)-1-(4-chloroanilino)-2-cyano-3-keto-3-pyrrolidino-prop-1-enyl]thio]-N-(2-naphthyl)acetamide Formula: C26H23ClN4O2S MolecularWeight: 491.00442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(=C(NC2=CC=C(C=C2)Cl)SCC(=O)NC3=CC4=CC=CC=C4C=C3)C#N

Isomeric SMILES

C1CCN(C1)C(=O)/C(=C(\NC2=CC=C(C=C2)Cl)/SCC(=O)NC3=CC4=CC=CC=C4C=C3)/C#N

InChI

InChI=1S/C26H23ClN4O2S/c27-20-8-11-21(12-9-20)30-25(23(16-28)26(33)31-13-3-4-14-31)34-17-24(32)29-22-10-7-18-5-1-2-6-19(18)15-22/h1-2,5-12,15,30H,3-4,13-14,17H2,(H,29,32)/b25-23+