[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OCC(=O)NC(C)(C#N)C2CC2

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OCC(=O)N[C@](C)(C#N)C2CC2

InChI

InChI=1S/C17H20N2O3S/c1-12-5-3-4-6-14(12)23-10-16(21)22-9-15(20)19-17(2,11-18)13-7-8-13/h3-6,13H,7-10H2,1-2H3,(H,19,20)/t17-/m1/s1