[1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl] cyclohex-3-ene-1-carboxylate

Systemtic Name: [1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl] cyclohex-3-ene-1-carboxylate Openeye Name: [1-methyl-2-(2-methylsulfanylanilino)-2-oxo-ethyl] cyclohex-3-ene-1-carboxylate CAS Name: 1-cyclohex-3-enecarboxylic acid [1-[2-(methylthio)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylsulfanylanilino)-1-oxopropan-2-yl] cyclohex-3-ene-1-carboxylate Traditional Name: cyclohex-3-ene-1-carboxylic acid [2-keto-1-methyl-2-[2-(methylthio)anilino]ethyl] ester Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)OC(=O)C2CCC=CC2

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1SC)OC(=O)C2CCC=CC2

InChI

InChI=1S/C17H21NO3S/c1-12(21-17(20)13-8-4-3-5-9-13)16(19)18-14-10-6-7-11-15(14)22-2/h3-4,6-7,10-13H,5,8-9H2,1-2H3,(H,18,19)