[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 3,5-dimethylbenzoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 3,5-dimethylbenzoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC(=O)NCCSCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC(=O)NCCSCC2=CC=CC=C2)C

InChI

InChI=1S/C20H23NO3S/c1-15-10-16(2)12-18(11-15)20(23)24-13-19(22)21-8-9-25-14-17-6-4-3-5-7-17/h3-7,10-12H,8-9,13-14H2,1-2H3,(H,21,22)