7-chloranyl-4,5-dihydro-1,2-benzothiazepine-3-carboxylic acid

Systemtic Name: 7-chloranyl-4,5-dihydro-1,2-benzothiazepine-3-carboxylic acid Openeye Name: 7-chloro-4,5-dihydro-1,2-benzothiazepine-3-carboxylic acid CAS Name: 7-chloro-4,5-dihydro-1,2-benzothiazepine-3-carboxylic acid IUPAC Name: 7-chloro-4,5-dihydro-1,2-benzothiazepine-3-carboxylic acid Traditional Name: 7-chloro-4,5-dihydro-1,2-benzothiazepine-3-carboxylic acid Formula: C10H8ClNO2S MolecularWeight: 241.69402

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NSC2=C1C=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1CC(=NSC2=C1C=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C10H8ClNO2S/c11-7-2-4-9-6(5-7)1-3-8(10(13)14)12-15-9/h2,4-5H,1,3H2,(H,13,14)