[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 2-[(3,5-dimethylphenyl)carbonylamino]ethanoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 2-[(3,5-dimethylphenyl)carbonylamino]ethanoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate CAS Name: 2-[[(3,5-dimethylphenyl)-oxomethyl]amino]acetic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate Traditional Name: 2-[(3,5-dimethylbenzoyl)amino]acetic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)SC)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)SC)C

InChI

InChI=1S/C20H21NO4S/c1-13-8-14(2)10-16(9-13)20(24)21-11-19(23)25-12-18(22)15-4-6-17(26-3)7-5-15/h4-10H,11-12H2,1-3H3,(H,21,24)