(3S)-3-butyl-7-chloranyl-3-ethyl-8-methoxy-5-phenyl-2,4-dihydro-1,5-benzothiazepine

Systemtic Name: (3S)-3-butyl-7-chloranyl-3-ethyl-8-methoxy-5-phenyl-2,4-dihydro-1,5-benzothiazepine Openeye Name: (3S)-3-butyl-7-chloro-3-ethyl-8-methoxy-5-phenyl-2,4-dihydro-1,5-benzothiazepine CAS Name: (3S)-3-butyl-7-chloro-3-ethyl-8-methoxy-5-phenyl-2,4-dihydro-1,5-benzothiazepine IUPAC Name: (3S)-3-butyl-7-chloro-3-ethyl-8-methoxy-5-phenyl-2,4-dihydro-1,5-benzothiazepine Traditional Name: (3S)-3-butyl-7-chloro-3-ethyl-8-methoxy-5-phenyl-2,4-dihydro-1,5-benzothiazepine Formula: C22H28ClNOS MolecularWeight: 389.98182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CN(C2=CC(=C(C=C2SC1)OC)Cl)C3=CC=CC=C3)CC

Isomeric SMILES

CCCC[C@]1(CN(C2=CC(=C(C=C2SC1)OC)Cl)C3=CC=CC=C3)CC

InChI

InChI=1S/C22H28ClNOS/c1-4-6-12-22(5-2)15-24(17-10-8-7-9-11-17)19-13-18(23)20(25-3)14-21(19)26-16-22/h7-11,13-14H,4-6,12,15-16H2,1-3H3/t22-/m0/s1