(2-bromophenyl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: (2-bromophenyl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: (2-bromophenyl)methyl 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate CAS Name: 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid (2-bromophenyl)methyl ester IUPAC Name: (2-bromophenyl)methyl 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Traditional Name: 4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid (2-bromobenzyl) ester Formula: C17H14BrNO3S MolecularWeight: 392.26696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3Br)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3Br)NC1=O

InChI

InChI=1S/C17H14BrNO3S/c18-13-4-2-1-3-12(13)10-22-17(21)11-5-6-15-14(9-11)19-16(20)7-8-23-15/h1-6,9H,7-8,10H2,(H,19,20)