4-[(E)-2-(4-ethylphenyl)ethenyl]-2,2-dimethyl-3H-1,5-benzothiazepine

Systemtic Name: 4-[(E)-2-(4-ethylphenyl)ethenyl]-2,2-dimethyl-3H-1,5-benzothiazepine Openeye Name: 4-[(E)-2-(4-ethylphenyl)vinyl]-2,2-dimethyl-3H-1,5-benzothiazepine CAS Name: 4-[(E)-2-(4-ethylphenyl)ethenyl]-2,2-dimethyl-3H-1,5-benzothiazepine IUPAC Name: 4-[(E)-2-(4-ethylphenyl)ethenyl]-2,2-dimethyl-3H-1,5-benzothiazepine Traditional Name: 4-[(E)-2-(4-ethylphenyl)vinyl]-2,2-dimethyl-3H-1,5-benzothiazepine Formula: C21H23NS MolecularWeight: 321.47902

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3SC(C2)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3SC(C2)(C)C

InChI

InChI=1S/C21H23NS/c1-4-16-9-11-17(12-10-16)13-14-18-15-21(2,3)23-20-8-6-5-7-19(20)22-18/h5-14H,4,15H2,1-3H3/b14-13+