[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(4-methylphenyl)methylsulfanyl]ethanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(4-methylphenyl)methylsulfanyl]ethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(p-tolylmethylsulfanyl)acetate CAS Name: 2-[(4-methylphenyl)methylthio]acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-methylbenzyl)thio]acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3S/c1-12-3-5-13(6-4-12)10-21-11-15(19)20-9-14(18)17-8-2-7-16/h3-6H,2,8-11H2,1H3,(H,17,18)