2,5,6,7-tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid

Systemtic Name: 2,5,6,7-tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid Openeye Name: 2,5,6,7-tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid CAS Name: 2,5,6,7-tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid IUPAC Name: 2,5,6,7-tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid Traditional Name: 2,5,6,7-tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid Formula: C7H9NO4S MolecularWeight: 203.21566

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(=NC1C(=O)O)C(=O)O

Isomeric SMILES

C1CSCC(=NC1C(=O)O)C(=O)O

InChI

InChI=1S/C7H9NO4S/c9-6(10)4-1-2-13-3-5(8-4)7(11)12/h4H,1-3H2,(H,9,10)(H,11,12)