[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2,5-dimethylbenzoate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2,5-dimethylbenzoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 2,5-dimethylbenzoate CAS Name: 2,5-dimethylbenzoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2,5-dimethylbenzoate Traditional Name: 2,5-dimethylbenzoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C20H21NO4S MolecularWeight: 371.45004

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO4S/c1-12-5-6-13(2)16(9-12)20(24)25-11-18(23)15-7-8-19(26-4)17(10-15)21-14(3)22/h5-10H,11H2,1-4H3,(H,21,22)