dimethyl 1-(1-ethoxycarbonyl-9-oxidanylidene-thioxanthen-3-yl)-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: dimethyl 1-(1-ethoxycarbonyl-9-oxidanylidene-thioxanthen-3-yl)-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 1-(1-ethoxycarbonyl-9-oxo-thioxanthen-3-yl)triazole-4,5-dicarboxylate CAS Name: 1-(1-ethoxycarbonyl-9-oxo-3-thioxanthenyl)triazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(1-ethoxycarbonyl-9-oxothioxanthen-3-yl)triazole-4,5-dicarboxylate Traditional Name: 1-(1-carbethoxy-9-keto-thioxanthen-3-yl)triazole-4,5-dicarboxylic acid dimethyl ester Formula: C22H17N3O7S MolecularWeight: 467.45128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC2=C1C(=O)C3=CC=CC=C3S2)N4C(=C(N=N4)C(=O)OC)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC(=CC2=C1C(=O)C3=CC=CC=C3S2)N4C(=C(N=N4)C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H17N3O7S/c1-4-32-20(27)13-9-11(25-18(22(29)31-3)17(23-24-25)21(28)30-2)10-15-16(13)19(26)12-7-5-6-8-14(12)33-15/h5-10H,4H2,1-3H3