3-butyl-3-ethyl-8-methoxy-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepine-7-carbaldehyde

Systemtic Name: 3-butyl-3-ethyl-8-methoxy-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepine-7-carbaldehyde Openeye Name: 3-butyl-3-ethyl-8-methoxy-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepine-7-carbaldehyde CAS Name: 3-butyl-3-ethyl-8-methoxy-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepine-7-carboxaldehyde IUPAC Name: 3-butyl-3-ethyl-8-methoxy-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepine-7-carbaldehyde Traditional Name: 3-butyl-3-ethyl-8-methoxy-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepine-7-carbaldehyde Formula: C23H29NO2S MolecularWeight: 383.54686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CSC2=C(C=C(C(=C2)OC)C=O)C(N1)C3=CC=CC=C3)CC

Isomeric SMILES

CCCCC1(CSC2=C(C=C(C(=C2)OC)C=O)C(N1)C3=CC=CC=C3)CC

InChI

InChI=1S/C23H29NO2S/c1-4-6-12-23(5-2)16-27-21-14-20(26-3)18(15-25)13-19(21)22(24-23)17-10-8-7-9-11-17/h7-11,13-15,22,24H,4-6,12,16H2,1-3H3