[2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] butanoate

Systemtic Name: [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] butanoate Openeye Name: [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] butanoate CAS Name: butanoic acid [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] ester IUPAC Name: [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] butanoate Traditional Name: butyric acid [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] ester Formula: C21H24O2S2 MolecularWeight: 372.54406

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=CC=C1C2SCC3=CC(=C(C=C3CS2)C)C

Isomeric SMILES

CCCC(=O)OC1=CC=CC=C1C2SCC3=CC(=C(C=C3CS2)C)C

InChI

InChI=1S/C21H24O2S2/c1-4-7-20(22)23-19-9-6-5-8-18(19)21-24-12-16-10-14(2)15(3)11-17(16)13-25-21/h5-6,8-11,21H,4,7,12-13H2,1-3H3