[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-(2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxoethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-(2,5-dimethylanilino)-2-keto-ethyl] ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C18H19NO3S/c1-12-4-5-13(2)16(10-12)19-17(20)11-22-18(21)14-6-8-15(23-3)9-7-14/h4-10H,11H2,1-3H3,(H,19,20)