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

Systemtic Name: 3-[(E)-but-2-enyl]-3-ethyl-5-phenyl-2H-1,2-benzothiazepine Openeye Name: 3-[(E)-but-2-enyl]-3-ethyl-5-phenyl-2H-1,2-benzothiazepine CAS Name: 3-[(E)-but-2-enyl]-3-ethyl-5-phenyl-2H-1,2-benzothiazepine IUPAC Name: 3-[(E)-but-2-enyl]-3-ethyl-5-phenyl-2H-1,2-benzothiazepine Traditional Name: 3-[(E)-but-2-enyl]-3-ethyl-5-phenyl-2H-1,2-benzothiazepine Formula: C21H23NS MolecularWeight: 321.47902

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C=C(C2=CC=CC=C2SN1)C3=CC=CC=C3)CC=CC

Isomeric SMILES

CCC1(C=C(C2=CC=CC=C2SN1)C3=CC=CC=C3)C/C=C/C

InChI

InChI=1S/C21H23NS/c1-3-5-15-21(4-2)16-19(17-11-7-6-8-12-17)18-13-9-10-14-20(18)23-22-21/h3,5-14,16,22H,4,15H2,1-2H3/b5-3+