[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2,4,6-trimethylbenzoate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2,4,6-trimethylbenzoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4S/c1-12-8-13(2)20(14(3)9-12)21(25)26-11-18(24)16-6-7-19(27-5)17(10-16)22-15(4)23/h6-10H,11H2,1-5H3,(H,22,23)