2-[3-(1,3-benzothiazol-2-yl)-2-oxidanylidene-chromen-7-yl]oxyethanoate

Systemtic Name: 2-[3-(1,3-benzothiazol-2-yl)-2-oxidanylidene-chromen-7-yl]oxyethanoate Openeye Name: 2-[3-(1,3-benzothiazol-2-yl)-2-oxo-chromen-7-yl]oxyacetate CAS Name: 2-[[3-(1,3-benzothiazol-2-yl)-2-oxo-1-benzopyran-7-yl]oxy]acetate IUPAC Name: 2-[3-(1,3-benzothiazol-2-yl)-2-oxochromen-7-yl]oxyacetate Traditional Name: 2-[3-(1,3-benzothiazol-2-yl)-2-keto-chromen-7-yl]oxyacetate Formula: C18H10NO5S- MolecularWeight: 352.3407

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC4=C(C=C(C=C4)OCC(=O)[O-])OC3=O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC4=C(C=C(C=C4)OCC(=O)[O-])OC3=O

InChI

InChI=1S/C18H11NO5S/c20-16(21)9-23-11-6-5-10-7-12(18(22)24-14(10)8-11)17-19-13-3-1-2-4-15(13)25-17/h1-8H,9H2,(H,20,21)/p-1