(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C19H21N3O4S MolecularWeight: 387.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h2-3,6-7,15,21H,4-5,8-9,11-12H2,1H3