(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C19H13NO5S2 MolecularWeight: 399.44022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C19H13NO5S2/c21-12-5-6-13-11(7-17(22)25-15(13)8-12)9-24-18(23)10-26-19-20-14-3-1-2-4-16(14)27-19/h1-8,21H,9-10H2