methyl 2-(1,2,3-thiadiazol-4-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(1,2,3-thiadiazol-4-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(thiadiazole-4-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo(4-thiadiazolyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(thiadiazole-4-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(thiadiazole-4-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C13H13N3O3S2 MolecularWeight: 323.39062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CSN=N3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CSN=N3

InChI

InChI=1S/C13H13N3O3S2/c1-19-13(18)10-7-4-2-3-5-9(7)21-12(10)14-11(17)8-6-20-16-15-8/h6H,2-5H2,1H3,(H,14,17)