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

Systemtic Name: 5-phenyl-2,3,6,7-tetrahydro-1,4-thiazepine-7-carboxylic acid Openeye Name: 5-phenyl-2,3,6,7-tetrahydro-1,4-thiazepine-7-carboxylic acid CAS Name: 5-phenyl-2,3,6,7-tetrahydro-1,4-thiazepine-7-carboxylic acid IUPAC Name: 5-phenyl-2,3,6,7-tetrahydro-1,4-thiazepine-7-carboxylic acid Traditional Name: 5-phenyl-2,3,6,7-tetrahydro-1,4-thiazepine-7-carboxylic acid Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(CC(=N1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CSC(CC(=N1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C12H13NO2S/c14-12(15)11-8-10(13-6-7-16-11)9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,14,15)