ethyl 2-(4-ethoxy-4-oxidanylidene-butoxy)-3-methylsulfanyl-benzoate

Systemtic Name: ethyl 2-(4-ethoxy-4-oxidanylidene-butoxy)-3-methylsulfanyl-benzoate Openeye Name: ethyl 2-(4-ethoxy-4-oxo-butoxy)-3-methylsulfanyl-benzoate CAS Name: 2-(4-ethoxy-4-oxobutoxy)-3-(methylthio)benzoic acid ethyl ester IUPAC Name: ethyl 2-(4-ethoxy-4-oxobutoxy)-3-methylsulfanylbenzoate Traditional Name: 2-(4-ethoxy-4-keto-butoxy)-3-(methylthio)benzoic acid ethyl ester Formula: C16H22O5S MolecularWeight: 326.40788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=C(C=CC=C1SC)C(=O)OCC

Isomeric SMILES

CCOC(=O)CCCOC1=C(C=CC=C1SC)C(=O)OCC

InChI

InChI=1S/C16H22O5S/c1-4-19-14(17)10-7-11-21-15-12(16(18)20-5-2)8-6-9-13(15)22-3/h6,8-9H,4-5,7,10-11H2,1-3H3