(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C23H22O8S MolecularWeight: 458.48098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H22O8S/c1-2-15-3-5-18-16(12-23(25)31-20(18)11-15)14-30-22(24)7-10-32(26,27)17-4-6-19-21(13-17)29-9-8-28-19/h3-6,11-13H,2,7-10,14H2,1H3