3-(1,3-benzothiazol-2-yl)-8-[(dimethylazaniumyl)methyl]-2-ethoxycarbonyl-6-ethyl-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[(dimethylazaniumyl)methyl]-2-ethoxycarbonyl-6-ethyl-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(1,3-benzothiazol-2-yl)-8-[(dimethylammonio)methyl]-2-ethoxycarbonyl-6-ethyl-4-oxo-chromen-7-olate CAS Name: 3-(1,3-benzothiazol-2-yl)-8-[(dimethylammonio)methyl]-2-ethoxycarbonyl-6-ethyl-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(1,3-benzothiazol-2-yl)-8-[(dimethylazaniumyl)methyl]-2-ethoxycarbonyl-6-ethyl-4-oxochromen-7-olate Traditional Name: 3-(1,3-benzothiazol-2-yl)-2-carbethoxy-8-[(dimethylammonio)methyl]-6-ethyl-4-keto-chromen-7-olate Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4S3)C[NH+](C)C)[O-]

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4S3)C[NH+](C)C)[O-]

InChI

InChI=1S/C24H24N2O5S/c1-5-13-11-14-20(28)18(23-25-16-9-7-8-10-17(16)32-23)22(24(29)30-6-2)31-21(14)15(19(13)27)12-26(3)4/h7-11,27H,5-6,12H2,1-4H3