[(Z)-2-(3,3-dimethyl-2,4-dihydro-1,5-benzodithiepin-7-yl)prop-1-enyl] benzoate

Systemtic Name: [(Z)-2-(3,3-dimethyl-2,4-dihydro-1,5-benzodithiepin-7-yl)prop-1-enyl] benzoate Openeye Name: [(Z)-2-(3,3-dimethyl-2,4-dihydro-1,5-benzodithiepin-7-yl)prop-1-enyl] benzoate CAS Name: benzoic acid [(Z)-2-(3,3-dimethyl-2,4-dihydro-1,5-benzodithiepin-7-yl)prop-1-enyl] ester IUPAC Name: [(Z)-2-(3,3-dimethyl-2,4-dihydro-1,5-benzodithiepin-7-yl)prop-1-enyl] benzoate Traditional Name: benzoic acid [(Z)-2-(3,3-dimethyl-2,4-dihydro-1,5-benzodithiepin-7-yl)prop-1-enyl] ester Formula: C21H22O2S2 MolecularWeight: 370.52818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O2S2/c1-15(12-23-20(22)16-7-5-4-6-8-16)17-9-10-18-19(11-17)25-14-21(2,3)13-24-18/h4-12H,13-14H2,1-3H3/b15-12-