[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(3-methylanilino)-2-oxoethyl]thio]acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(m-toluidino)ethyl]thio]acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4S/c1-12-4-2-5-13(8-12)19-15(21)10-24-11-16(22)23-9-14(20)18-7-3-6-17/h2,4-5,8H,3,7,9-11H2,1H3,(H,18,20)(H,19,21)