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

Systemtic Name: [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] 2,2-dimethylpropanoate Openeye Name: [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic 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] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] ester Formula: C22H26O2S2 MolecularWeight: 386.57064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CSC(SCC2=C1)C3=CC=CC=C3OC(=O)C(C)(C)C)C

Isomeric SMILES

CC1=C(C=C2CSC(SCC2=C1)C3=CC=CC=C3OC(=O)C(C)(C)C)C

InChI

InChI=1S/C22H26O2S2/c1-14-10-16-12-25-20(26-13-17(16)11-15(14)2)18-8-6-7-9-19(18)24-21(23)22(3,4)5/h6-11,20H,12-13H2,1-5H3