[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C15H16N2O4S MolecularWeight: 320.36354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C15H16N2O4S/c1-9-3-5-14(22-9)12(18)4-6-15(20)21-8-13(19)11(7-16)10(2)17/h3,5,11,17H,4,6,8H2,1-2H3/t11-/m0/s1