[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O3S/c1-12(2)18(5,11-19)20-16(21)9-23-17(22)10-24-15-8-13(3)6-7-14(15)4/h6-8,12H,9-10H2,1-5H3,(H,20,21)/t18-/m1/s1