(7S)-7-(1-methyl-1,2,3-triazol-4-yl)-1,4-thiazepane-3,6-dicarboxylic acid

Systemtic Name: (7S)-7-(1-methyl-1,2,3-triazol-4-yl)-1,4-thiazepane-3,6-dicarboxylic acid Openeye Name: (7S)-7-(1-methyltriazol-4-yl)-1,4-thiazepane-3,6-dicarboxylic acid CAS Name: (7S)-7-(1-methyl-4-triazolyl)-1,4-thiazepane-3,6-dicarboxylic acid IUPAC Name: (7S)-7-(1-methyltriazol-4-yl)-1,4-thiazepane-3,6-dicarboxylic acid Traditional Name: (7S)-7-(1-methyltriazol-4-yl)-1,4-thiazepane-3,6-dicarboxylic acid Formula: C10H14N4O4S MolecularWeight: 286.30756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1C=C(N=N1)[C@@H]2C(CNC(CS2)C(=O)O)C(=O)O

InChI

InChI=1S/C10H14N4O4S/c1-14-3-6(12-13-14)8-5(9(15)16)2-11-7(4-19-8)10(17)18/h3,5,7-8,11H,2,4H2,1H3,(H,15,16)(H,17,18)/t5?,7?,8-/m0/s1