methyl 2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(1H-1,2,4-triazol-5-ylthio)acetyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C13H11N5O3S2 MolecularWeight: 349.38814

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC=NN3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC=NN3

InChI

InChI=1S/C13H11N5O3S2/c1-21-11(20)7-2-3-8-9(4-7)23-13(16-8)17-10(19)5-22-12-14-6-15-18-12/h2-4,6H,5H2,1H3,(H,14,15,18)(H,16,17,19)