[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)N2CCCC2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC=CC=C1SCC(=O)N2CCCC2)/N

InChI

InChI=1S/C19H21N3O4S/c1-13(21)15(10-20)16(23)11-26-19(25)14-6-2-3-7-17(14)27-12-18(24)22-8-4-5-9-22/h2-3,6-7H,4-5,8-9,11-12,21H2,1H3/b15-13+