[2-(cyclopentylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2CCCC2

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2CCCC2

InChI

InChI=1S/C17H23NO3S/c1-13-6-8-15(9-7-13)22-11-10-17(20)21-12-16(19)18-14-4-2-3-5-14/h6-9,14H,2-5,10-12H2,1H3,(H,18,19)