3-ethyl-2-(2-methylpropyl)-5-phenyl-2,3,4,5-tetrahydro-1$l^{4},4-benzothiazepine 1-oxide

Systemtic Name: 3-ethyl-2-(2-methylpropyl)-5-phenyl-2,3,4,5-tetrahydro-1$l^{4},4-benzothiazepine 1-oxide Openeye Name: 3-ethyl-2-isobutyl-5-phenyl-2,3,4,5-tetrahydro-1$l^{4},4-benzothiazepine 1-oxide CAS Name: 3-ethyl-2-(2-methylpropyl)-5-phenyl-2,3,4,5-tetrahydro-1$l^{4},4-benzothiazepine 1-oxide IUPAC Name: 3-ethyl-2-(2-methylpropyl)-5-phenyl-2,3,4,5-tetrahydro-1$l^{4},4-benzothiazepine 1-oxide Traditional Name: 3-ethyl-2-isobutyl-5-phenyl-2,3,4,5-tetrahydro-1$l^{4},4-benzothiazepine 1-oxide Formula: C21H27NOS MolecularWeight: 341.51018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(S(=O)C2=CC=CC=C2C(N1)C3=CC=CC=C3)CC(C)C

Isomeric SMILES

CCC1C(S(=O)C2=CC=CC=C2C(N1)C3=CC=CC=C3)CC(C)C

InChI

InChI=1S/C21H27NOS/c1-4-18-20(14-15(2)3)24(23)19-13-9-8-12-17(19)21(22-18)16-10-6-5-7-11-16/h5-13,15,18,20-22H,4,14H2,1-3H3