[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C19H21NO4S2 MolecularWeight: 391.50434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO4S2/c1-23-17-12-15(25-2)8-9-16(17)19(22)24-13-18(21)20-10-11-26-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3,(H,20,21)