4-[(2-fluorophenyl)methyl]-3-methyl-5-oxidanylidene-N-(2,4,6-trimethylphenyl)-2H-1,4-benzothiazepine-3-carboxamide

Systemtic Name: 4-[(2-fluorophenyl)methyl]-3-methyl-5-oxidanylidene-N-(2,4,6-trimethylphenyl)-2H-1,4-benzothiazepine-3-carboxamide Openeye Name: 4-[(2-fluorophenyl)methyl]-3-methyl-5-oxo-N-(2,4,6-trimethylphenyl)-2H-1,4-benzothiazepine-3-carboxamide CAS Name: 4-[(2-fluorophenyl)methyl]-3-methyl-5-oxo-N-(2,4,6-trimethylphenyl)-2H-1,4-benzothiazepine-3-carboxamide IUPAC Name: 4-[(2-fluorophenyl)methyl]-3-methyl-5-oxo-N-(2,4,6-trimethylphenyl)-2H-1,4-benzothiazepine-3-carboxamide Traditional Name: 4-(2-fluorobenzyl)-5-keto-N-mesityl-3-methyl-2H-1,4-benzothiazepine-3-carboxamide Formula: C27H27FN2O2S MolecularWeight: 462.578883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C2(CSC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4F)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2(CSC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4F)C)C

InChI

InChI=1S/C27H27FN2O2S/c1-17-13-18(2)24(19(3)14-17)29-26(32)27(4)16-33-23-12-8-6-10-21(23)25(31)30(27)15-20-9-5-7-11-22(20)28/h5-14H,15-16H2,1-4H3,(H,29,32)