[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] benzoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] benzoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] benzoate CAS Name: benzoic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] benzoate Traditional Name: benzoic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H19NO3S/c20-17(13-22-18(21)16-9-5-2-6-10-16)19-11-12-23-14-15-7-3-1-4-8-15/h1-10H,11-14H2,(H,19,20)