3-[(E)-but-2-enyl]-3-ethyl-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepine

Systemtic Name: 3-[(E)-but-2-enyl]-3-ethyl-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepine Openeye Name: 3-[(E)-but-2-enyl]-3-ethyl-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepine CAS Name: 3-[(E)-but-2-enyl]-3-ethyl-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepine IUPAC Name: 3-[(E)-but-2-enyl]-3-ethyl-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepine Traditional Name: 3-[(E)-but-2-enyl]-3-ethyl-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepine Formula: C21H25NS MolecularWeight: 323.4949

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CSC2=CC=CC=C2C(N1)C3=CC=CC=C3)CC=CC

Isomeric SMILES

CCC1(CSC2=CC=CC=C2C(N1)C3=CC=CC=C3)C/C=C/C

InChI

InChI=1S/C21H25NS/c1-3-5-15-21(4-2)16-23-19-14-10-9-13-18(19)20(22-21)17-11-7-6-8-12-17/h3,5-14,20,22H,4,15-16H2,1-2H3/b5-3+