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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CS(=O)C2=CC=CC=C2C(N1)C3=CC=CC=C3)CC(C)C

Isomeric SMILES

CCC1(CS(=O)C2=CC=CC=C2C(N1)C3=CC=CC=C3)CC(C)C

InChI

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