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

Systemtic Name: methyl 4-[(Z)-2-(3,3-dimethyl-2,4-dihydro-1,5-benzodithiepin-7-yl)prop-1-enyl]benzoate Openeye Name: methyl 4-[(Z)-2-(3,3-dimethyl-2,4-dihydro-1,5-benzodithiepin-7-yl)prop-1-enyl]benzoate CAS Name: 4-[(Z)-2-(3,3-dimethyl-2,4-dihydro-1,5-benzodithiepin-7-yl)prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-2-(3,3-dimethyl-2,4-dihydro-1,5-benzodithiepin-7-yl)prop-1-enyl]benzoate Traditional Name: 4-[(Z)-2-(3,3-dimethyl-2,4-dihydro-1,5-benzodithiepin-7-yl)prop-1-enyl]benzoic acid methyl ester Formula: C22H24O2S2 MolecularWeight: 384.55476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=C(C=C1)C(=O)OC)C2=CC3=C(C=C2)SCC(CS3)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24O2S2/c1-15(11-16-5-7-17(8-6-16)21(23)24-4)18-9-10-19-20(12-18)26-14-22(2,3)13-25-19/h5-12H,13-14H2,1-4H3/b15-11-