[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-(4-methylphenyl)thiophene-2-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-(4-methylphenyl)thiophene-2-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 3-(p-tolyl)thiophene-2-carboxylate CAS Name: 3-(4-methylphenyl)-2-thiophenecarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 3-(4-methylphenyl)thiophene-2-carboxylate Traditional Name: 3-(p-tolyl)thiophene-2-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C18H16N2O3S MolecularWeight: 340.39624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C18H16N2O3S/c1-11-3-5-13(6-4-11)14-7-8-24-17(14)18(22)23-10-16(21)15(9-19)12(2)20/h3-8,15,20H,10H2,1-2H3/t15-/m1/s1