(3S)-3-(phenylmethyl)-1,4-thiazepane-2,5-dione

Systemtic Name: (3S)-3-(phenylmethyl)-1,4-thiazepane-2,5-dione Openeye Name: (3S)-3-benzyl-1,4-thiazepane-2,5-dione CAS Name: (3S)-3-(phenylmethyl)-1,4-thiazepane-2,5-dione IUPAC Name: (3S)-3-benzyl-1,4-thiazepane-2,5-dione Traditional Name: (3S)-3-benzyl-1,4-thiazepane-2,5-quinone Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=O)C(NC1=O)CC2=CC=CC=C2

Isomeric SMILES

C1CSC(=O)[C@@H](NC1=O)CC2=CC=CC=C2

InChI

InChI=1S/C12H13NO2S/c14-11-6-7-16-12(15)10(13-11)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14)/t10-/m0/s1