methyl 4-[2-(2-oxidanylideneethylsulfanyl)ethyl]benzoate

Systemtic Name: methyl 4-[2-(2-oxidanylideneethylsulfanyl)ethyl]benzoate Openeye Name: methyl 4-[2-(2-oxoethylsulfanyl)ethyl]benzoate CAS Name: 4-[2-(2-oxoethylthio)ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(2-oxoethylsulfanyl)ethyl]benzoate Traditional Name: 4-[2-(2-ketoethylthio)ethyl]benzoic acid methyl ester Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCSCC=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCSCC=O

InChI

InChI=1S/C12H14O3S/c1-15-12(14)11-4-2-10(3-5-11)6-8-16-9-7-13/h2-5,7H,6,8-9H2,1H3