dimethyl 7-(1-methyl-1,2,3-triazol-4-yl)-4,7-dihydro-1,4-thiazepine-3,6-dicarboxylate

Systemtic Name: dimethyl 7-(1-methyl-1,2,3-triazol-4-yl)-4,7-dihydro-1,4-thiazepine-3,6-dicarboxylate Openeye Name: dimethyl 7-(1-methyltriazol-4-yl)-4,7-dihydro-1,4-thiazepine-3,6-dicarboxylate CAS Name: 7-(1-methyl-4-triazolyl)-4,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 7-(1-methyltriazol-4-yl)-4,7-dihydro-1,4-thiazepine-3,6-dicarboxylate Traditional Name: 7-(1-methyltriazol-4-yl)-4,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid dimethyl ester Formula: C12H14N4O4S MolecularWeight: 310.32896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=N1)C2C(=CNC(=CS2)C(=O)OC)C(=O)OC

Isomeric SMILES

CN1C=C(N=N1)C2C(=CNC(=CS2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C12H14N4O4S/c1-16-5-8(14-15-16)10-7(11(17)19-2)4-13-9(6-21-10)12(18)20-3/h4-6,10,13H,1-3H3