3-[3-(6-methoxy-7-methyl-3-oxidanylidene-4-propanoyloxy-1H-2-benzofuran-5-yl)cyclopenten-1-yl]-2-(methylsulfonylamino)-2-phenyl-butanoic acid

Systemtic Name: 3-[3-(6-methoxy-7-methyl-3-oxidanylidene-4-propanoyloxy-1H-2-benzofuran-5-yl)cyclopenten-1-yl]-2-(methylsulfonylamino)-2-phenyl-butanoic acid Openeye Name: 2-(methanesulfonamido)-3-[3-(6-methoxy-7-methyl-3-oxo-4-propanoyloxy-1H-isobenzofuran-5-yl)cyclopenten-1-yl]-2-phenyl-butanoic acid CAS Name: 2-(methanesulfonamido)-3-[3-[6-methoxy-7-methyl-3-oxo-4-(1-oxopropoxy)-1H-isobenzofuran-5-yl]-1-cyclopentenyl]-2-phenylbutanoic acid IUPAC Name: 2-(methanesulfonamido)-3-[3-(6-methoxy-7-methyl-3-oxo-4-propanoyloxy-1H-2-benzofuran-5-yl)cyclopenten-1-yl]-2-phenylbutanoic acid Traditional Name: 3-[3-(3-keto-6-methoxy-7-methyl-4-propionyloxy-phthalan-5-yl)cyclopenten-1-yl]-2-(methanesulfonamido)-2-phenyl-butyric acid Formula: C29H33NO9S MolecularWeight: 571.63862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C(=C(C2=C1C(=O)OC2)C)OC)C3CCC(=C3)C(C)C(C4=CC=CC=C4)(C(=O)O)NS(=O)(=O)C

Isomeric SMILES

CCC(=O)OC1=C(C(=C(C2=C1C(=O)OC2)C)OC)C3CCC(=C3)C(C)C(C4=CC=CC=C4)(C(=O)O)NS(=O)(=O)C

InChI

InChI=1S/C29H33NO9S/c1-6-22(31)39-26-23(25(37-4)16(2)21-15-38-27(32)24(21)26)19-13-12-18(14-19)17(3)29(28(33)34,30-40(5,35)36)20-10-8-7-9-11-20/h7-11,14,17,19,30H,6,12-13,15H2,1-5H3,(H,33,34)