methyl 2-(2-ethyl-5-methyl-1,3-benzodithiol-2-yl)ethanoate

Systemtic Name: methyl 2-(2-ethyl-5-methyl-1,3-benzodithiol-2-yl)ethanoate Openeye Name: methyl 2-(2-ethyl-5-methyl-1,3-benzodithiol-2-yl)acetate CAS Name: 2-(2-ethyl-5-methyl-1,3-benzodithiol-2-yl)acetic acid methyl ester IUPAC Name: methyl 2-(2-ethyl-5-methyl-1,3-benzodithiol-2-yl)acetate Traditional Name: 2-(2-ethyl-5-methyl-1,3-benzodithiol-2-yl)acetic acid methyl ester Formula: C13H16O2S2 MolecularWeight: 268.39494

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(SC2=C(S1)C=C(C=C2)C)CC(=O)OC

Isomeric SMILES

CCC1(SC2=C(S1)C=C(C=C2)C)CC(=O)OC

InChI

InChI=1S/C13H16O2S2/c1-4-13(8-12(14)15-3)16-10-6-5-9(2)7-11(10)17-13/h5-7H,4,8H2,1-3H3