[1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: [1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [1-methyl-2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [2-keto-1-methyl-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C19H27NO3S MolecularWeight: 349.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)OC(=O)CSC2=CC=CC=C2C

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)OC(=O)CSC2=CC=CC=C2C

InChI

InChI=1S/C19H27NO3S/c1-13-8-4-6-10-16(13)20-19(22)15(3)23-18(21)12-24-17-11-7-5-9-14(17)2/h5,7,9,11,13,15-16H,4,6,8,10,12H2,1-3H3,(H,20,22)