methyl 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: methyl 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]-1,2,3-triazole-4-carboxylate Openeye Name: methyl 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]triazole-4-carboxylate CAS Name: 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]triazole-4-carboxylate Traditional Name: 1-[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]triazole-4-carboxylic acid methyl ester Formula: C13H11N5O3S MolecularWeight: 317.32314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(N=N1)CC(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1=CN(N=N1)CC(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C13H11N5O3S/c1-21-12(20)9-6-18(17-16-9)7-11(19)15-13-14-8-4-2-3-5-10(8)22-13/h2-6H,7H2,1H3,(H,14,15,19)