(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C27H23NO9S MolecularWeight: 537.53782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC5=C(C=C4)OCCO5)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC5=C(C=C4)OCCO5)O

InChI

InChI=1S/C27H23NO9S/c1-2-16-11-21-18(12-26(30)37-24(21)14-22(16)29)15-36-27(31)17-3-5-19(6-4-17)28-38(32,33)20-7-8-23-25(13-20)35-10-9-34-23/h3-8,11-14,28-29H,2,9-10,15H2,1H3