[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-(cyanomethylsulfanyl)ethanoate

Systemtic Name: [2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-(cyanomethylsulfanyl)ethanoate Openeye Name: [2-[benzyl(tert-butyl)amino]-2-oxo-ethyl] 2-(cyanomethylsulfanyl)acetate CAS Name: 2-(cyanomethylthio)acetic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(cyanomethylsulfanyl)acetate Traditional Name: 2-(cyanomethylthio)acetic acid [2-[benzyl(tert-butyl)amino]-2-keto-ethyl] ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3S/c1-17(2,3)19(11-14-7-5-4-6-8-14)15(20)12-22-16(21)13-23-10-9-18/h4-8H,10-13H2,1-3H3