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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[(diethylazaniumyl)methyl]-2-ethoxycarbonyl-6-ethyl-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(1,3-benzothiazol-2-yl)-8-[(diethylammonio)methyl]-2-ethoxycarbonyl-6-ethyl-4-oxo-chromen-7-olate CAS Name: 3-(1,3-benzothiazol-2-yl)-8-[(diethylammonio)methyl]-2-ethoxycarbonyl-6-ethyl-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(1,3-benzothiazol-2-yl)-8-[(diethylazaniumyl)methyl]-2-ethoxycarbonyl-6-ethyl-4-oxochromen-7-olate Traditional Name: 3-(1,3-benzothiazol-2-yl)-2-carbethoxy-8-[(diethylammonio)methyl]-6-ethyl-4-keto-chromen-7-olate Formula: C26H28N2O5S MolecularWeight: 480.57592

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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+](CC)CC)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O5S/c1-5-15-13-16-22(30)20(25-27-18-11-9-10-12-19(18)34-25)24(26(31)32-8-4)33-23(16)17(21(15)29)14-28(6-2)7-3/h9-13,29H,5-8,14H2,1-4H3