(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 4-methoxy-3-morpholinosulfonyl-benzoate CAS Name: 4-methoxy-3-(4-morpholinylsulfonyl)benzoic acid (2-oxo-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-4-yl)methyl ester IUPAC Name: (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-morpholinosulfonyl-benzoic acid (2-keto-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl ester Formula: C25H25NO8S MolecularWeight: 499.5329

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=CC4=C(CCC4)C=C23)S(=O)(=O)N5CCOCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=CC4=C(CCC4)C=C23)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C25H25NO8S/c1-31-21-6-5-18(13-23(21)35(29,30)26-7-9-32-10-8-26)25(28)33-15-19-14-24(27)34-22-12-17-4-2-3-16(17)11-20(19)22/h5-6,11-14H,2-4,7-10,15H2,1H3