(2,6-dimethoxyphenyl) 7-(diethylamino)-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2-oxidanylidene-chromene-4-carboxylate

Systemtic Name: (2,6-dimethoxyphenyl) 7-(diethylamino)-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2-oxidanylidene-chromene-4-carboxylate Openeye Name: (2,6-dimethoxyphenyl) 7-(diethylamino)-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2-oxo-chromene-4-carboxylate CAS Name: 7-(diethylamino)-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2-oxo-1-benzopyran-4-carboxylic acid (2,6-dimethoxyphenyl) ester IUPAC Name: (2,6-dimethoxyphenyl) 7-(diethylamino)-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2-oxochromene-4-carboxylate Traditional Name: 7-(diethylamino)-2-keto-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)chromene-4-carboxylic acid (2,6-dimethoxyphenyl) ester Formula: C30H29N2O6S+ MolecularWeight: 545.62606

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=[N+](C4=CC=CC=C4S3)C)C(=O)OC5=C(C=CC=C5OC)OC

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=[N+](C4=CC=CC=C4S3)C)C(=O)OC5=C(C=CC=C5OC)OC

InChI

InChI=1S/C30H29N2O6S/c1-6-32(7-2)18-15-16-19-23(17-18)37-30(34)26(28-31(3)20-11-8-9-14-24(20)39-28)25(19)29(33)38-27-21(35-4)12-10-13-22(27)36-5/h8-17H,6-7H2,1-5H3/q+1