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

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C19H27NO3S MolecularWeight: 349.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OCC(=O)NC2CCCCCCC2

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OCC(=O)NC2CCCCCCC2

InChI

InChI=1S/C19H27NO3S/c1-15-9-7-8-12-17(15)24-14-19(22)23-13-18(21)20-16-10-5-3-2-4-6-11-16/h7-9,12,16H,2-6,10-11,13-14H2,1H3,(H,20,21)