(2R)-2-(2-methoxyphenyl)-5-(quinoxalin-5-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: (2R)-2-(2-methoxyphenyl)-5-(quinoxalin-5-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: (2R)-2-(2-methoxyphenyl)-5-(quinoxalin-5-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: (2R)-2-(2-methoxyphenyl)-5-(5-quinoxalinylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: (2R)-2-(2-methoxyphenyl)-5-(quinoxalin-5-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: (2R)-2-(2-methoxyphenyl)-5-(quinoxalin-5-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine Formula: C25H23N3OS MolecularWeight: 413.53462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CCN(C3=CC=CC=C3S2)CC4=C5C(=CC=C4)N=CC=N5

Isomeric SMILES

COC1=CC=CC=C1[C@H]2CCN(C3=CC=CC=C3S2)CC4=C5C(=CC=C4)N=CC=N5

InChI

InChI=1S/C25H23N3OS/c1-29-22-11-4-2-8-19(22)23-13-16-28(21-10-3-5-12-24(21)30-23)17-18-7-6-9-20-25(18)27-15-14-26-20/h2-12,14-15,23H,13,16-17H2,1H3/t23-/m1/s1