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

Systemtic Name: (3R,7S)-5-phenyl-2,3,6,7-tetrahydro-1,4-thiazepine-3,7-dicarboxylate Openeye Name: (3R,7S)-5-phenyl-2,3,6,7-tetrahydro-1,4-thiazepine-3,7-dicarboxylate CAS Name: (3R,7S)-5-phenyl-2,3,6,7-tetrahydro-1,4-thiazepine-3,7-dicarboxylate IUPAC Name: (3R,7S)-5-phenyl-2,3,6,7-tetrahydro-1,4-thiazepine-3,7-dicarboxylate Traditional Name: (3R,7S)-5-phenyl-2,3,6,7-tetrahydro-1,4-thiazepine-3,7-dicarboxylate Formula: C13H11NO4S-2 MolecularWeight: 277.29574

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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

C1[C@H](SC[C@H](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)/p-2/t10-,11-/m0/s1