methyl 4-(methylsulfanylmethyl)-1,3-benzodioxole-5-carboxylate

Systemtic Name: methyl 4-(methylsulfanylmethyl)-1,3-benzodioxole-5-carboxylate Openeye Name: methyl 4-(methylsulfanylmethyl)-1,3-benzodioxole-5-carboxylate CAS Name: 4-[(methylthio)methyl]-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(methylsulfanylmethyl)-1,3-benzodioxole-5-carboxylate Traditional Name: 4-[(methylthio)methyl]-piperonylic acid methyl ester Formula: C11H12O4S MolecularWeight: 240.27558

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=C1)OCO2)CSC

Isomeric SMILES

COC(=O)C1=C(C2=C(C=C1)OCO2)CSC

InChI

InChI=1S/C11H12O4S/c1-13-11(12)7-3-4-9-10(15-6-14-9)8(7)5-16-2/h3-4H,5-6H2,1-2H3