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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24O2S2/c1-4-24-22(23)18-7-5-17(6-8-18)11-16(3)19-9-10-20-21(12-19)26-14-15(2)13-25-20/h5-12,15H,4,13-14H2,1-3H3/b16-11+