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

Systemtic Name: N-(2,4-dimethoxyphenyl)-4-[(2-fluorophenyl)methyl]-3-methyl-5-oxidanylidene-2H-1,4-benzothiazepine-3-carboxamide Openeye Name: N-(2,4-dimethoxyphenyl)-4-[(2-fluorophenyl)methyl]-3-methyl-5-oxo-2H-1,4-benzothiazepine-3-carboxamide CAS Name: N-(2,4-dimethoxyphenyl)-4-[(2-fluorophenyl)methyl]-3-methyl-5-oxo-2H-1,4-benzothiazepine-3-carboxamide IUPAC Name: N-(2,4-dimethoxyphenyl)-4-[(2-fluorophenyl)methyl]-3-methyl-5-oxo-2H-1,4-benzothiazepine-3-carboxamide Traditional Name: N-(2,4-dimethoxyphenyl)-4-(2-fluorobenzyl)-5-keto-3-methyl-2H-1,4-benzothiazepine-3-carboxamide Formula: C26H25FN2O4S MolecularWeight: 480.551103

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3F)C(=O)NC4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CC1(CSC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3F)C(=O)NC4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C26H25FN2O4S/c1-26(25(31)28-21-13-12-18(32-2)14-22(21)33-3)16-34-23-11-7-5-9-19(23)24(30)29(26)15-17-8-4-6-10-20(17)27/h4-14H,15-16H2,1-3H3,(H,28,31)