[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)sulfanylethanoate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)sulfanylethanoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 2-(p-tolylsulfanyl)acetate CAS Name: 2-[(4-methylphenyl)thio]acetic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate Traditional Name: 2-(p-tolylthio)acetic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C19H27NO3S MolecularWeight: 349.48758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)OCC(=O)NC2CCCCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)OCC(=O)NC2CCCCCCC2

InChI

InChI=1S/C19H27NO3S/c1-15-9-11-17(12-10-15)24-14-19(22)23-13-18(21)20-16-7-5-3-2-4-6-8-16/h9-12,16H,2-8,13-14H2,1H3,(H,20,21)