N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C26H26N2O4S MolecularWeight: 462.56064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C2=CC=C(C=C2)OC)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

COC1=CC=C(C=C1)C[C@@H](C2=CC=C(C=C2)OC)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C26H26N2O4S/c1-31-20-8-3-17(4-9-20)15-22(18-5-10-21(32-2)11-6-18)28-26(30)19-7-12-24-23(16-19)27-25(29)13-14-33-24/h3-12,16,22H,13-15H2,1-2H3,(H,27,29)(H,28,30)/t22-/m0/s1