dimethyl (2S)-2,5-dihydro-1,5-benzothiazepine-2,4-dicarboxylate

Systemtic Name: dimethyl (2S)-2,5-dihydro-1,5-benzothiazepine-2,4-dicarboxylate Openeye Name: dimethyl (2S)-2,5-dihydro-1,5-benzothiazepine-2,4-dicarboxylate CAS Name: (2S)-2,5-dihydro-1,5-benzothiazepine-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2S)-2,5-dihydro-1,5-benzothiazepine-2,4-dicarboxylate Traditional Name: (2S)-2,5-dihydro-1,5-benzothiazepine-2,4-dicarboxylic acid dimethyl ester Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C=C(NC2=CC=CC=C2S1)C(=O)OC

Isomeric SMILES

COC(=O)[C@@H]1C=C(NC2=CC=CC=C2S1)C(=O)OC

InChI

InChI=1S/C13H13NO4S/c1-17-12(15)9-7-11(13(16)18-2)19-10-6-4-3-5-8(10)14-9/h3-7,11,14H,1-2H3/t11-/m0/s1