[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-azanyl-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-azanyl-1H-1,2,4-triazole-5-carboxylate Openeye Name: [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 3-amino-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-amino-1H-1,2,4-triazole-5-carboxylic acid [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 3-amino-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-amino-1H-1,2,4-triazole-5-carboxylic acid [2-keto-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C13H12N6O4S MolecularWeight: 348.33718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C3=NC(=NN3)N

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C3=NC(=NN3)N

InChI

InChI=1S/C13H12N6O4S/c1-22-6-2-3-7-8(4-6)24-13(15-7)16-9(20)5-23-11(21)10-17-12(14)19-18-10/h2-4H,5H2,1H3,(H,15,16,20)(H3,14,17,18,19)