1-[2-(4-bromophenyl)-7-chloranyl-4-methyl-2,5-dihydro-1,5-benzothiazepin-3-yl]ethanone

Systemtic Name: 1-[2-(4-bromophenyl)-7-chloranyl-4-methyl-2,5-dihydro-1,5-benzothiazepin-3-yl]ethanone Openeye Name: 1-[2-(4-bromophenyl)-7-chloro-4-methyl-2,5-dihydro-1,5-benzothiazepin-3-yl]ethanone CAS Name: 1-[2-(4-bromophenyl)-7-chloro-4-methyl-2,5-dihydro-1,5-benzothiazepin-3-yl]ethanone IUPAC Name: 1-[2-(4-bromophenyl)-7-chloro-4-methyl-2,5-dihydro-1,5-benzothiazepin-3-yl]ethanone Traditional Name: 1-[2-(4-bromophenyl)-7-chloro-4-methyl-2,5-dihydro-1,5-benzothiazepin-3-yl]ethanone Formula: C18H15BrClNOS MolecularWeight: 408.7398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(SC2=C(N1)C=C(C=C2)Cl)C3=CC=C(C=C3)Br)C(=O)C

Isomeric SMILES

CC1=C(C(SC2=C(N1)C=C(C=C2)Cl)C3=CC=C(C=C3)Br)C(=O)C

InChI

InChI=1S/C18H15BrClNOS/c1-10-17(11(2)22)18(12-3-5-13(19)6-4-12)23-16-8-7-14(20)9-15(16)21-10/h3-9,18,21H,1-2H3