[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 3-acetamidobenzoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 3-acetamidobenzoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O4S/c1-15(23)22-18-9-5-8-17(12-18)20(25)26-13-19(24)21-10-11-27-14-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H,21,24)(H,22,23)