(7S)-5-phenyl-2,3,6,7-tetrahydro-1,4-thiazepine-7-carboxylate

Systemtic Name: (7S)-5-phenyl-2,3,6,7-tetrahydro-1,4-thiazepine-7-carboxylate Openeye Name: (7S)-5-phenyl-2,3,6,7-tetrahydro-1,4-thiazepine-7-carboxylate CAS Name: (7S)-5-phenyl-2,3,6,7-tetrahydro-1,4-thiazepine-7-carboxylate IUPAC Name: (7S)-5-phenyl-2,3,6,7-tetrahydro-1,4-thiazepine-7-carboxylate Traditional Name: (7S)-5-phenyl-2,3,6,7-tetrahydro-1,4-thiazepine-7-carboxylate Formula: C12H12NO2S- MolecularWeight: 234.29418

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(CC(=N1)C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1CS[C@@H](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)/p-1/t11-/m0/s1