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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC2=C1OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C(=O)OCC)[O-]

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC2=C1OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C(=O)OCC)[O-]

InChI

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