[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 3-methoxybenzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 3-methoxybenzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)OCC(=O)NCCSC2=CC=CC=C2

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)OCC(=O)NCCSC2=CC=CC=C2

InChI

InChI=1S/C18H19NO4S/c1-22-15-7-5-6-14(12-15)18(21)23-13-17(20)19-10-11-24-16-8-3-2-4-9-16/h2-9,12H,10-11,13H2,1H3,(H,19,20)