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

Systemtic Name: phenyl 7-(diethylamino)-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2-oxidanylidene-chromene-4-carboxylate Openeye Name: phenyl 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 phenyl ester IUPAC Name: phenyl 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 phenyl ester Formula: C28H25N2O4S+ MolecularWeight: 485.5741

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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=CC=CC=C5

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=[N+](C4=CC=CC=C4S3)C)C(=O)OC5=CC=CC=C5

InChI

InChI=1S/C28H25N2O4S/c1-4-30(5-2)18-15-16-20-22(17-18)34-28(32)25(24(20)27(31)33-19-11-7-6-8-12-19)26-29(3)21-13-9-10-14-23(21)35-26/h6-17H,4-5H2,1-3H3/q+1