3-(1,3-benzothiazol-2-yl)-8-[[bis(2-hydroxyethyl)azaniumyl]methyl]-2-ethoxycarbonyl-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-hydroxyethyl)azaniumyl]methyl]-2-ethoxycarbonyl-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-hydroxyethyl)ammonio]methyl]-2-ethoxycarbonyl-4-oxo-chromen-7-olate CAS Name: 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-hydroxyethyl)ammonio]methyl]-2-ethoxycarbonyl-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-hydroxyethyl)azaniumyl]methyl]-2-ethoxycarbonyl-4-oxochromen-7-olate Traditional Name: 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-hydroxyethyl)ammonio]methyl]-2-carbethoxy-4-keto-chromen-7-olate Formula: C24H24N2O7S MolecularWeight: 484.52156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+](CCO)CCO)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+](CCO)CCO)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H24N2O7S/c1-2-32-24(31)22-19(23-25-16-5-3-4-6-18(16)34-23)20(30)14-7-8-17(29)15(21(14)33-22)13-26(9-11-27)10-12-28/h3-8,27-29H,2,9-13H2,1H3