[(E)-2-(3,5-dimethyl-3,4-dihydro-2H-1,5-benzothiazepin-8-yl)prop-1-enyl] benzoate

Systemtic Name: [(E)-2-(3,5-dimethyl-3,4-dihydro-2H-1,5-benzothiazepin-8-yl)prop-1-enyl] benzoate Openeye Name: [(E)-2-(3,5-dimethyl-3,4-dihydro-2H-1,5-benzothiazepin-8-yl)prop-1-enyl] benzoate CAS Name: benzoic acid [(E)-2-(3,5-dimethyl-3,4-dihydro-2H-1,5-benzothiazepin-8-yl)prop-1-enyl] ester IUPAC Name: [(E)-2-(3,5-dimethyl-3,4-dihydro-2H-1,5-benzothiazepin-8-yl)prop-1-enyl] benzoate Traditional Name: benzoic acid [(E)-2-(3,5-dimethyl-3,4-dihydro-2H-1,5-benzothiazepin-8-yl)prop-1-enyl] ester Formula: C21H23NO2S MolecularWeight: 353.47782

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=C(C=C(C=C2)C(=COC(=O)C3=CC=CC=C3)C)SC1)C

Isomeric SMILES

CC1CN(C2=C(C=C(C=C2)/C(=C/OC(=O)C3=CC=CC=C3)/C)SC1)C

InChI

InChI=1S/C21H23NO2S/c1-15-12-22(3)19-10-9-18(11-20(19)25-14-15)16(2)13-24-21(23)17-7-5-4-6-8-17/h4-11,13,15H,12,14H2,1-3H3/b16-13+