ethyl 2-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]-1,3-benzoxazole-5-sulfonate

Systemtic Name: ethyl 2-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]-1,3-benzoxazole-5-sulfonate Openeye Name: ethyl 2-[7-(diethylamino)-2-oxo-chromen-3-yl]-1,3-benzoxazole-5-sulfonate CAS Name: 2-[7-(diethylamino)-2-oxo-1-benzopyran-3-yl]-1,3-benzoxazole-5-sulfonic acid ethyl ester IUPAC Name: ethyl 2-[7-(diethylamino)-2-oxochromen-3-yl]-1,3-benzoxazole-5-sulfonate Traditional Name: 2-[7-(diethylamino)-2-keto-chromen-3-yl]-1,3-benzoxazole-5-sulfonic acid ethyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=C(O3)C=CC(=C4)S(=O)(=O)OCC

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=C(O3)C=CC(=C4)S(=O)(=O)OCC

InChI

InChI=1S/C22H22N2O6S/c1-4-24(5-2)15-8-7-14-11-17(22(25)30-20(14)12-15)21-23-18-13-16(9-10-19(18)29-21)31(26,27)28-6-3/h7-13H,4-6H2,1-3H3