(2S)-4-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid

Systemtic Name: (2S)-4-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Openeye Name: (2S)-4-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid CAS Name: (2S)-4-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid IUPAC Name: (2S)-4-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Traditional Name: (2S)-4-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Formula: C16H12ClNO2S MolecularWeight: 317.78998

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC=CC=C2N=C1C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1[C@H](SC2=CC=CC=C2N=C1C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C16H12ClNO2S/c17-11-7-5-10(6-8-11)13-9-15(16(19)20)21-14-4-2-1-3-12(14)18-13/h1-8,15H,9H2,(H,19,20)/t15-/m0/s1