methyl 2-(2-cyano-3,6-dimethoxy-phenyl)sulfanylethanoate

Systemtic Name: methyl 2-(2-cyano-3,6-dimethoxy-phenyl)sulfanylethanoate Openeye Name: methyl 2-(2-cyano-3,6-dimethoxy-phenyl)sulfanylacetate CAS Name: 2-[(2-cyano-3,6-dimethoxyphenyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(2-cyano-3,6-dimethoxyphenyl)sulfanylacetate Traditional Name: 2-[(2-cyano-3,6-dimethoxy-phenyl)thio]acetic acid methyl ester Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)OC)SCC(=O)OC)C#N

Isomeric SMILES

COC1=C(C(=C(C=C1)OC)SCC(=O)OC)C#N

InChI

InChI=1S/C12H13NO4S/c1-15-9-4-5-10(16-2)12(8(9)6-13)18-7-11(14)17-3/h4-5H,7H2,1-3H3