[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 5-methyl-4-propyl-thiophene-2-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 5-methyl-4-propyl-thiophene-2-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 5-methyl-4-propyl-thiophene-2-carboxylate CAS Name: 5-methyl-4-propyl-2-thiophenecarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 5-methyl-4-propylthiophene-2-carboxylate Traditional Name: 5-methyl-4-propyl-thiophene-2-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C15H18N2O3S MolecularWeight: 306.38002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)OCC(=O)C(C#N)C(=N)C)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)OCC(=O)[C@H](C#N)C(=N)C)C

InChI

InChI=1S/C15H18N2O3S/c1-4-5-11-6-14(21-10(11)3)15(19)20-8-13(18)12(7-16)9(2)17/h6,12,17H,4-5,8H2,1-3H3/t12-/m1/s1