5-[(3-chlorophenyl)methyl]-6,11,11-tris(oxidanylidene)-N-[2,3,4,5,6-pentakis(fluoranyl)phenyl]benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 5-[(3-chlorophenyl)methyl]-6,11,11-tris(oxidanylidene)-N-[2,3,4,5,6-pentakis(fluoranyl)phenyl]benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(3-chlorophenyl)methyl]-6,11,11-trioxo-N-(2,3,4,5,6-pentafluorophenyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(3-chlorophenyl)methyl]-6,11,11-trioxo-N-(2,3,4,5,6-pentafluorophenyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(3-chlorophenyl)methyl]-6,11,11-trioxo-N-(2,3,4,5,6-pentafluorophenyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(3-chlorobenzyl)-6,11,11-triketo-N-(2,3,4,5,6-pentafluorophenyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H14ClF5N2O4S MolecularWeight: 592.921076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C3=C(S2(=O)=O)C=CC(=C3)C(=O)NC4=C(C(=C(C(=C4F)F)F)F)F)CC5=CC(=CC=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C3=C(S2(=O)=O)C=CC(=C3)C(=O)NC4=C(C(=C(C(=C4F)F)F)F)F)CC5=CC(=CC=C5)Cl

InChI

InChI=1S/C27H14ClF5N2O4S/c28-15-5-3-4-13(10-15)12-35-17-11-14(26(36)34-25-23(32)21(30)20(29)22(31)24(25)33)8-9-19(17)40(38,39)18-7-2-1-6-16(18)27(35)37/h1-11H,12H2,(H,34,36)