N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[(4-benzyloxy-3-methoxy-phenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-(4-benzoxy-3-methoxy-benzyl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O4S/c1-30-22-13-18(7-9-21(22)31-16-17-5-3-2-4-6-17)15-26-25(29)19-8-10-23-20(14-19)27-24(28)11-12-32-23/h2-10,13-14H,11-12,15-16H2,1H3,(H,26,29)(H,27,28)