[(E)-2-(3-methyl-3,4-dihydro-2H-1,5-benzodithiepin-7-yl)prop-1-enyl] benzoate

Systemtic Name: [(E)-2-(3-methyl-3,4-dihydro-2H-1,5-benzodithiepin-7-yl)prop-1-enyl] benzoate Openeye Name: [(E)-2-(3-methyl-3,4-dihydro-2H-1,5-benzodithiepin-7-yl)prop-1-enyl] benzoate CAS Name: benzoic acid [(E)-2-(3-methyl-3,4-dihydro-2H-1,5-benzodithiepin-7-yl)prop-1-enyl] ester IUPAC Name: [(E)-2-(3-methyl-3,4-dihydro-2H-1,5-benzodithiepin-7-yl)prop-1-enyl] benzoate Traditional Name: benzoic acid [(E)-2-(3-methyl-3,4-dihydro-2H-1,5-benzodithiepin-7-yl)prop-1-enyl] ester Formula: C20H20O2S2 MolecularWeight: 356.5016

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Descriptors Computed from Structure

Canonical SMILES:

CC1CSC2=C(C=C(C=C2)C(=COC(=O)C3=CC=CC=C3)C)SC1

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)/C(=C/OC(=O)C3=CC=CC=C3)/C)SC1

InChI

InChI=1S/C20H20O2S2/c1-14-12-23-18-9-8-17(10-19(18)24-13-14)15(2)11-22-20(21)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3/b15-11+