[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-butyric acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C23H23NO7S MolecularWeight: 457.49622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3)SC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3)SC

InChI

InChI=1S/C23H23NO7S/c1-14(25)24-17-11-15(4-7-22(17)32-2)19(27)13-31-23(28)8-5-18(26)16-3-6-20-21(12-16)30-10-9-29-20/h3-4,6-7,11-12H,5,8-10,13H2,1-2H3,(H,24,25)