(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate CAS Name: 5-(1,3-benzothiazol-2-yl)-2-furancarboxylic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate Traditional Name: 5-(1,3-benzothiazol-2-yl)furan-2-carboxylic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C22H13NO6S MolecularWeight: 419.40672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(O3)C(=O)OCC4=CC(=O)OC5=C4C=CC(=C5)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(O3)C(=O)OCC4=CC(=O)OC5=C4C=CC(=C5)O

InChI

InChI=1S/C22H13NO6S/c24-13-5-6-14-12(9-20(25)29-18(14)10-13)11-27-22(26)17-8-7-16(28-17)21-23-15-3-1-2-4-19(15)30-21/h1-10,24H,11H2