3-butyl-3-ethyl-7,8-dimethoxy-4-oxidanyl-5-phenyl-2,5-dihydro-1,4-benzothiazepine

Systemtic Name: 3-butyl-3-ethyl-7,8-dimethoxy-4-oxidanyl-5-phenyl-2,5-dihydro-1,4-benzothiazepine Openeye Name: 3-butyl-3-ethyl-4-hydroxy-7,8-dimethoxy-5-phenyl-2,5-dihydro-1,4-benzothiazepine CAS Name: 3-butyl-3-ethyl-4-hydroxy-7,8-dimethoxy-5-phenyl-2,5-dihydro-1,4-benzothiazepine IUPAC Name: 3-butyl-3-ethyl-4-hydroxy-7,8-dimethoxy-5-phenyl-2,5-dihydro-1,4-benzothiazepine Traditional Name: 3-butyl-3-ethyl-4-hydroxy-7,8-dimethoxy-5-phenyl-2,5-dihydro-1,4-benzothiazepine Formula: C23H31NO3S MolecularWeight: 401.56214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CSC2=CC(=C(C=C2C(N1O)C3=CC=CC=C3)OC)OC)CC

Isomeric SMILES

CCCCC1(CSC2=CC(=C(C=C2C(N1O)C3=CC=CC=C3)OC)OC)CC

InChI

InChI=1S/C23H31NO3S/c1-5-7-13-23(6-2)16-28-21-15-20(27-4)19(26-3)14-18(21)22(24(23)25)17-11-9-8-10-12-17/h8-12,14-15,22,25H,5-7,13,16H2,1-4H3