[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C19H27NO3S MolecularWeight: 349.48758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)COC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

C1CCCC(CCC1)NC(=O)COC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C19H27NO3S/c21-18(20-16-9-5-2-1-3-6-10-16)15-23-19(22)13-14-24-17-11-7-4-8-12-17/h4,7-8,11-12,16H,1-3,5-6,9-10,13-15H2,(H,20,21)