3-[(E)-but-1-enyl]-3-ethyl-8-methoxy-5-phenyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepine 1,1-dioxide

Systemtic Name: 3-[(E)-but-1-enyl]-3-ethyl-8-methoxy-5-phenyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepine 1,1-dioxide Openeye Name: 3-[(E)-but-1-enyl]-3-ethyl-8-methoxy-5-phenyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepine 1,1-dioxide CAS Name: 3-[(E)-but-1-enyl]-3-ethyl-8-methoxy-5-phenyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepine 1,1-dioxide IUPAC Name: 3-[(E)-but-1-enyl]-3-ethyl-8-methoxy-5-phenyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepine 1,1-dioxide Traditional Name: 3-[(E)-but-1-enyl]-3-ethyl-8-methoxy-5-phenyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepine 1,1-dioxide Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC1(CS(=O)(=O)C2=C(C=CC(=C2)OC)C(N1)C3=CC=CC=C3)CC

Isomeric SMILES

CC/C=C/C1(CS(=O)(=O)C2=C(C=CC(=C2)OC)C(N1)C3=CC=CC=C3)CC

InChI

InChI=1S/C22H27NO3S/c1-4-6-14-22(5-2)16-27(24,25)20-15-18(26-3)12-13-19(20)21(23-22)17-10-8-7-9-11-17/h6-15,21,23H,4-5,16H2,1-3H3/b14-6+