N-[(2-chlorophenyl)methyl]-5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-5-ethyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-5-ethyl-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-5-ethyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(2-chlorobenzyl)-5-ethyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H19ClN2O2S MolecularWeight: 422.92716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3Cl)SC4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3Cl)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C23H19ClN2O2S/c1-2-26-19-13-15(22(27)25-14-16-7-3-5-9-18(16)24)11-12-21(19)29-20-10-6-4-8-17(20)23(26)28/h3-13H,2,14H2,1H3,(H,25,27)