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

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C15H16N2O3S/c1-10-5-3-4-6-14(10)21-9-15(19)20-8-13(18)12(7-16)11(2)17/h3-6,12,17H,8-9H2,1-2H3/t12-/m1/s1