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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H19NO4S/c1-22-16-10-14(24-2)8-9-15(16)18(21)23-12-17(20)19-11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,19,20)