2-[6-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-bis(oxidanylidene)indene-5-carboxylic acid

Systemtic Name: 2-[6-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-bis(oxidanylidene)indene-5-carboxylic acid Openeye Name: 2-[6-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)-2-quinolyl]-1,3-dioxo-indane-5-carboxylic acid CAS Name: 2-[6-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)-2-quinolinyl]-1,3-dioxo-5-indenecarboxylic acid IUPAC Name: 2-[6-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-dioxoindene-5-carboxylic acid Traditional Name: 1,3-diketo-2-[6-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)-2-quinolyl]indane-5-carboxylic acid Formula: C27H16N2O7S2 MolecularWeight: 544.55514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(C=C4)C5C(=O)C6=C(C5=O)C=C(C=C6)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(C=C4)C5C(=O)C6=C(C5=O)C=C(C=C6)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C27H16N2O7S2/c1-12-2-7-20-24(25(12)38(34,35)36)37-26(29-20)14-5-8-18-13(10-14)4-9-19(28-18)21-22(30)16-6-3-15(27(32)33)11-17(16)23(21)31/h2-11,21H,1H3,(H,32,33)(H,34,35,36)