[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-naphthalen-2-ylsulfanylethanoate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)CSC1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)CSC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C21H24N2O3S/c1-14(2)21(4,13-22)23-20(25)15(3)26-19(24)12-27-18-10-9-16-7-5-6-8-17(16)11-18/h5-11,14-15H,12H2,1-4H3,(H,23,25)