3-[(E)-but-2-enyl]-3-ethyl-5-phenyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepine 1,1-dioxide

Systemtic Name: 3-[(E)-but-2-enyl]-3-ethyl-5-phenyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepine 1,1-dioxide Openeye Name: 3-[(E)-but-2-enyl]-3-ethyl-5-phenyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepine 1,1-dioxide CAS Name: 3-[(E)-but-2-enyl]-3-ethyl-5-phenyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepine 1,1-dioxide IUPAC Name: 3-[(E)-but-2-enyl]-3-ethyl-5-phenyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepine 1,1-dioxide Traditional Name: 3-[(E)-but-2-enyl]-3-ethyl-5-phenyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepine 1,1-dioxide Formula: C21H25NO2S MolecularWeight: 355.4937

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO2S/c1-3-5-15-21(4-2)16-25(23,24)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+