3-(1,3-benzothiazol-2-yl)-8-[[bis(2-hydroxyethyl)azaniumyl]methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-hydroxyethyl)azaniumyl]methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-hydroxyethyl)ammonio]methyl]-2-oxo-chromen-7-olate CAS Name: 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-hydroxyethyl)ammonio]methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-hydroxyethyl)azaniumyl]methyl]-2-oxochromen-7-olate Traditional Name: 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-hydroxyethyl)ammonio]methyl]-2-keto-chromen-7-olate Formula: C21H20N2O5S MolecularWeight: 412.4589

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)[O-])C[NH+](CCO)CCO)OC3=O

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5S/c24-9-7-23(8-10-25)12-15-17(26)6-5-13-11-14(21(27)28-19(13)15)20-22-16-3-1-2-4-18(16)29-20/h1-6,11,24-26H,7-10,12H2