3-butyl-3-ethyl-7-methoxy-5-phenyl-4,5-dihydro-2H-1$l^{4},4-benzothiazepine 1-oxide

Systemtic Name: 3-butyl-3-ethyl-7-methoxy-5-phenyl-4,5-dihydro-2H-1$l^{4},4-benzothiazepine 1-oxide Openeye Name: 3-butyl-3-ethyl-7-methoxy-5-phenyl-4,5-dihydro-2H-1$l^{4},4-benzothiazepine 1-oxide CAS Name: 3-butyl-3-ethyl-7-methoxy-5-phenyl-4,5-dihydro-2H-1$l^{4},4-benzothiazepine 1-oxide IUPAC Name: 3-butyl-3-ethyl-7-methoxy-5-phenyl-4,5-dihydro-2H-1$l^{4},4-benzothiazepine 1-oxide Traditional Name: 3-butyl-3-ethyl-7-methoxy-5-phenyl-4,5-dihydro-2H-1$l^{4},4-benzothiazepine 1-oxide Formula: C22H29NO2S MolecularWeight: 371.53616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CS(=O)C2=C(C=C(C=C2)OC)C(N1)C3=CC=CC=C3)CC

Isomeric SMILES

CCCCC1(CS(=O)C2=C(C=C(C=C2)OC)C(N1)C3=CC=CC=C3)CC

InChI

InChI=1S/C22H29NO2S/c1-4-6-14-22(5-2)16-26(24)20-13-12-18(25-3)15-19(20)21(23-22)17-10-8-7-9-11-17/h7-13,15,21,23H,4-6,14,16H2,1-3H3