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

Systemtic Name: 4-(4-bromophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Openeye Name: 4-(4-bromophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid CAS Name: 4-(4-bromophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid IUPAC Name: 4-(4-bromophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Traditional Name: 4-(4-bromophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Formula: C16H12BrNO2S MolecularWeight: 362.24098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrNO2S/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)