[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (1S)-cyclohex-3-ene-1-carboxylate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (1S)-cyclohex-3-ene-1-carboxylate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] (1S)-cyclohex-3-ene-1-carboxylate CAS Name: (1S)-1-cyclohex-3-enecarboxylic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] (1S)-cyclohex-3-ene-1-carboxylate Traditional Name: (1S)-cyclohex-3-ene-1-carboxylic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC(=O)C2CCC=CC2

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)[C@H]2CCC=CC2

InChI

InChI=1S/C16H19NO3S/c1-21-14-10-6-5-9-13(14)17-15(18)11-20-16(19)12-7-3-2-4-8-12/h2-3,5-6,9-10,12H,4,7-8,11H2,1H3,(H,17,18)/t12-/m1/s1