methyl 4-[(2-methoxy-2-oxidanylidene-ethyl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(2-methoxy-2-oxidanylidene-ethyl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(2-methoxy-2-oxo-ethyl)sulfanylmethyl]benzoate CAS Name: 4-[[(2-methoxy-2-oxoethyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-methoxy-2-oxoethyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(2-keto-2-methoxy-ethyl)thio]methyl]benzoic acid methyl ester Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

COC(=O)CSCC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C12H14O4S/c1-15-11(13)8-17-7-9-3-5-10(6-4-9)12(14)16-2/h3-6H,7-8H2,1-2H3