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

Systemtic Name: ethyl 2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C14H13N5O3S2 MolecularWeight: 363.41472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5O3S2/c1-2-22-12(21)8-3-4-9-10(5-8)24-14(17-9)18-11(20)6-23-13-15-7-16-19-13/h3-5,7H,2,6H2,1H3,(H,15,16,19)(H,17,18,20)