[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-[(4-methylphenyl)methylsulfanyl]ethanoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-[(4-methylphenyl)methylsulfanyl]ethanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 2-(p-tolylmethylsulfanyl)acetate CAS Name: 2-[(4-methylphenyl)methylthio]acetic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 2-[(4-methylphenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-methylbenzyl)thio]acetic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3S/c1-11-3-5-13(6-4-11)9-22-10-16(20)21-8-15(19)14(7-17)12(2)18/h3-6,14,18H,8-10H2,1-2H3/t14-/m0/s1