[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C18H19NO3S/c1-13-5-3-4-6-15(13)11-19-17(20)12-22-18(21)14-7-9-16(23-2)10-8-14/h3-10H,11-12H2,1-2H3,(H,19,20)