[2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: [2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [2-keto-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)CSC2=CC=CC=C2C

Isomeric SMILES

CC1CCCCC1NC(=O)COC(=O)CSC2=CC=CC=C2C

InChI

InChI=1S/C18H25NO3S/c1-13-7-3-5-9-15(13)19-17(20)11-22-18(21)12-23-16-10-6-4-8-14(16)2/h4,6,8,10,13,15H,3,5,7,9,11-12H2,1-2H3,(H,19,20)