ethyl 6-(4-methylsulfanylphenyl)-2-oxidanyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate

Systemtic Name: ethyl 6-(4-methylsulfanylphenyl)-2-oxidanyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate Openeye Name: ethyl 2-hydroxy-6-(4-methylsulfanylphenyl)-4-oxo-cyclohex-2-ene-1-carboxylate CAS Name: 2-hydroxy-6-[4-(methylthio)phenyl]-4-oxo-1-cyclohex-2-enecarboxylic acid ethyl ester IUPAC Name: ethyl 2-hydroxy-6-(4-methylsulfanylphenyl)-4-oxocyclohex-2-ene-1-carboxylate Traditional Name: 2-hydroxy-4-keto-6-[4-(methylthio)phenyl]cyclohex-2-ene-1-carboxylic acid ethyl ester Formula: C16H18O4S MolecularWeight: 306.37672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=O)C=C1O)C2=CC=C(C=C2)SC

Isomeric SMILES

CCOC(=O)C1C(CC(=O)C=C1O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C16H18O4S/c1-3-20-16(19)15-13(8-11(17)9-14(15)18)10-4-6-12(21-2)7-5-10/h4-7,9,13,15,18H,3,8H2,1-2H3