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

Systemtic Name: [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] 2-methylpropanoate Openeye Name: [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] 2-methylpropanoate CAS Name: 2-methylpropanoic 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-methylpropanoate Traditional Name: 2-methylpropionic 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:

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

Isomeric SMILES

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

InChI

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