methyl 2-(2,5-dimethyl-1,3-benzodithiol-2-yl)propanoate

Systemtic Name: methyl 2-(2,5-dimethyl-1,3-benzodithiol-2-yl)propanoate Openeye Name: methyl 2-(2,5-dimethyl-1,3-benzodithiol-2-yl)propanoate CAS Name: 2-(2,5-dimethyl-1,3-benzodithiol-2-yl)propanoic acid methyl ester IUPAC Name: methyl 2-(2,5-dimethyl-1,3-benzodithiol-2-yl)propanoate Traditional Name: 2-(2,5-dimethyl-1,3-benzodithiol-2-yl)propionic acid methyl ester Formula: C13H16O2S2 MolecularWeight: 268.39494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(S2)(C)C(C)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)SC(S2)(C)C(C)C(=O)OC

InChI

InChI=1S/C13H16O2S2/c1-8-5-6-10-11(7-8)17-13(3,16-10)9(2)12(14)15-4/h5-7,9H,1-4H3