(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4S/c1-11(19)13(8-18)14(21)9-24-17(23)12-6-4-5-7-15(12)25-10-16(22)20(2)3/h4-7,13,19H,9-10H2,1-3H3