dimethyl 1-(1,3-benzothiazol-2-yl)-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: dimethyl 1-(1,3-benzothiazol-2-yl)-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 1-(1,3-benzothiazol-2-yl)triazole-4,5-dicarboxylate CAS Name: 1-(1,3-benzothiazol-2-yl)triazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(1,3-benzothiazol-2-yl)triazole-4,5-dicarboxylate Traditional Name: 1-(1,3-benzothiazol-2-yl)triazole-4,5-dicarboxylic acid dimethyl ester Formula: C13H10N4O4S MolecularWeight: 318.3079

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=N1)C2=NC3=CC=CC=C3S2)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(N=N1)C2=NC3=CC=CC=C3S2)C(=O)OC

InChI

InChI=1S/C13H10N4O4S/c1-20-11(18)9-10(12(19)21-2)17(16-15-9)13-14-7-5-3-4-6-8(7)22-13/h3-6H,1-2H3