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

Systemtic Name: [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] propanoate Openeye Name: [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] propanoate CAS Name: propanoic 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] propanoate Traditional Name: propionic acid [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] ester Formula: C20H22O2S2 MolecularWeight: 358.51748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22O2S2/c1-4-19(21)22-18-8-6-5-7-17(18)20-23-11-15-9-13(2)14(3)10-16(15)12-24-20/h5-10,20H,4,11-12H2,1-3H3