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

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)sulfanylethanoate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 2-(p-tolylsulfanyl)acetate CAS Name: 2-[(4-methylphenyl)thio]acetic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate Traditional Name: 2-(p-tolylthio)acetic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)OCC(=O)NC2CCCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)OCC(=O)NC2CCCCCC2

InChI

InChI=1S/C18H25NO3S/c1-14-8-10-16(11-9-14)23-13-18(21)22-12-17(20)19-15-6-4-2-3-5-7-15/h8-11,15H,2-7,12-13H2,1H3,(H,19,20)