5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-oxidanylidene-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-oxidanylidene-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(2-chloro-6-fluoro-phenyl)methyl]-6-oxo-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(2-chloro-6-fluorophenyl)methyl]-6-oxo-N-phenethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(2-chloro-6-fluorophenyl)methyl]-6-oxo-N-phenethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(2-chloro-6-fluoro-benzyl)-6-keto-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C29H22ClFN2O2S MolecularWeight: 517.013583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=C(C=CC=C5Cl)F

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=C(C=CC=C5Cl)F

InChI

InChI=1S/C29H22ClFN2O2S/c30-23-10-6-11-24(31)22(23)18-33-25-17-20(28(34)32-16-15-19-7-2-1-3-8-19)13-14-27(25)36-26-12-5-4-9-21(26)29(33)35/h1-14,17H,15-16,18H2,(H,32,34)