[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 2-(5,6-dimethylbenzofuran-3-yl)acetate CAS Name: 2-(5,6-dimethyl-3-benzofuranyl)acetic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(5,6-dimethylbenzofuran-3-yl)acetic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)OCC(=O)C3=CC(=C(C=C3)SC)NC(=O)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)OCC(=O)C3=CC(=C(C=C3)SC)NC(=O)C)C

InChI

InChI=1S/C23H23NO5S/c1-13-7-18-17(11-28-21(18)8-14(13)2)10-23(27)29-12-20(26)16-5-6-22(30-4)19(9-16)24-15(3)25/h5-9,11H,10,12H2,1-4H3,(H,24,25)