3-[(E)-but-2-enyl]-3-ethyl-8-methoxy-5-phenyl-2H-1,2-benzothiazepine

Systemtic Name: 3-[(E)-but-2-enyl]-3-ethyl-8-methoxy-5-phenyl-2H-1,2-benzothiazepine Openeye Name: 3-[(E)-but-2-enyl]-3-ethyl-8-methoxy-5-phenyl-2H-1,2-benzothiazepine CAS Name: 3-[(E)-but-2-enyl]-3-ethyl-8-methoxy-5-phenyl-2H-1,2-benzothiazepine IUPAC Name: 3-[(E)-but-2-enyl]-3-ethyl-8-methoxy-5-phenyl-2H-1,2-benzothiazepine Traditional Name: 3-[(E)-but-2-enyl]-3-ethyl-8-methoxy-5-phenyl-2H-1,2-benzothiazepine Formula: C22H25NOS MolecularWeight: 351.505

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C=C(C2=C(C=C(C=C2)OC)SN1)C3=CC=CC=C3)CC=CC

Isomeric SMILES

CCC1(C=C(C2=C(C=C(C=C2)OC)SN1)C3=CC=CC=C3)C/C=C/C

InChI

InChI=1S/C22H25NOS/c1-4-6-14-22(5-2)16-20(17-10-8-7-9-11-17)19-13-12-18(24-3)15-21(19)25-23-22/h4,6-13,15-16,23H,5,14H2,1-3H3/b6-4+