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

Systemtic Name: [(Z)-2-(3,3-dimethyl-4,5-dihydro-2H-1-benzothiepin-8-yl)prop-1-enyl] benzoate Openeye Name: [(Z)-2-(3,3-dimethyl-4,5-dihydro-2H-1-benzothiepin-8-yl)prop-1-enyl] benzoate CAS Name: benzoic acid [(Z)-2-(3,3-dimethyl-4,5-dihydro-2H-1-benzothiepin-8-yl)prop-1-enyl] ester IUPAC Name: [(Z)-2-(3,3-dimethyl-4,5-dihydro-2H-1-benzothiepin-8-yl)prop-1-enyl] benzoate Traditional Name: benzoic acid [(Z)-2-(3,3-dimethyl-4,5-dihydro-2H-1-benzothiepin-8-yl)prop-1-enyl] ester Formula: C22H24O2S MolecularWeight: 352.48976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=COC(=O)C1=CC=CC=C1)C2=CC3=C(CCC(CS3)(C)C)C=C2

Isomeric SMILES

C/C(=C/OC(=O)C1=CC=CC=C1)/C2=CC3=C(CCC(CS3)(C)C)C=C2

InChI

InChI=1S/C22H24O2S/c1-16(14-24-21(23)18-7-5-4-6-8-18)19-10-9-17-11-12-22(2,3)15-25-20(17)13-19/h4-10,13-14H,11-12,15H2,1-3H3/b16-14-