[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-phenylbutanoate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-phenylbutanoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 2-phenylbutanoate CAS Name: 2-phenylbutanoic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-phenylbutanoate Traditional Name: 2-phenylbutyric acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)C

InChI

InChI=1S/C21H25NO3S/c1-3-19(17-7-5-4-6-8-17)21(24)25-15-20(23)22-13-14-26-18-11-9-16(2)10-12-18/h4-12,19H,3,13-15H2,1-2H3,(H,22,23)