[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OCC(=O)NCC2CCCCC2

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OCC(=O)NCC2CCCCC2

InChI

InChI=1S/C18H25NO3S/c1-14-7-5-6-10-16(14)23-13-18(21)22-12-17(20)19-11-15-8-3-2-4-9-15/h5-7,10,15H,2-4,8-9,11-13H2,1H3,(H,19,20)