[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 3-ethoxy-4-methoxy-benzoate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 3-ethoxy-4-methoxy-benzoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 3-ethoxy-4-methoxy-benzoate CAS Name: 3-ethoxy-4-methoxybenzoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate Traditional Name: 3-ethoxy-4-methoxy-benzoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC(=C(C=C2)SC)NC(=O)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC(=C(C=C2)SC)NC(=O)C)OC

InChI

InChI=1S/C21H23NO6S/c1-5-27-19-11-15(6-8-18(19)26-3)21(25)28-12-17(24)14-7-9-20(29-4)16(10-14)22-13(2)23/h6-11H,5,12H2,1-4H3,(H,22,23)