8-chloranyl-6-ethylidene-N-[(4-fluorophenyl)methyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 8-chloranyl-6-ethylidene-N-[(4-fluorophenyl)methyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-chloro-6-ethylidene-N-[(4-fluorophenyl)methyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-chloro-6-ethylidene-N-[(4-fluorophenyl)methyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: 8-chloro-6-ethylidene-N-[(4-fluorophenyl)methyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-chloro-6-ethylidene-N-(4-fluorobenzyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H18ClFN2OS MolecularWeight: 424.918223

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Descriptors Computed from Structure

Canonical SMILES:

CC=C1C2=C(C=CC(=C2)Cl)SC3=C(N1)C=C(C=C3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CC=C1C2=C(C=CC(=C2)Cl)SC3=C(N1)C=C(C=C3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C23H18ClFN2OS/c1-2-19-18-12-16(24)6-10-21(18)29-22-9-5-15(11-20(22)27-19)23(28)26-13-14-3-7-17(25)8-4-14/h2-12,27H,13H2,1H3,(H,26,28)