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

Systemtic Name: 5-phenyl-2,3,6,7-tetrahydro-1,4-thiazepine-3,7-dicarboxylic acid Openeye Name: 5-phenyl-2,3,6,7-tetrahydro-1,4-thiazepine-3,7-dicarboxylic acid CAS Name: 5-phenyl-2,3,6,7-tetrahydro-1,4-thiazepine-3,7-dicarboxylic acid IUPAC Name: 5-phenyl-2,3,6,7-tetrahydro-1,4-thiazepine-3,7-dicarboxylic acid Traditional Name: 5-phenyl-2,3,6,7-tetrahydro-1,4-thiazepine-3,7-dicarboxylic acid Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SCC(N=C1C2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1C(SCC(N=C1C2=CC=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C13H13NO4S/c15-12(16)10-7-19-11(13(17)18)6-9(14-10)8-4-2-1-3-5-8/h1-5,10-11H,6-7H2,(H,15,16)(H,17,18)