[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 4-ethylbenzoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 4-ethylbenzoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)NCCSCC2=CC=CC=C2

InChI

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