prop-2-enyl 1-methyl-2-oxidanylidene-4-phenylsulfanyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: prop-2-enyl 1-methyl-2-oxidanylidene-4-phenylsulfanyl-cyclohex-3-ene-1-carboxylate Openeye Name: allyl 1-methyl-2-oxo-4-phenylsulfanyl-cyclohex-3-ene-1-carboxylate CAS Name: 1-methyl-2-oxo-4-(phenylthio)-1-cyclohex-3-enecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 1-methyl-2-oxo-4-phenylsulfanylcyclohex-3-ene-1-carboxylate Traditional Name: 2-keto-1-methyl-4-(phenylthio)cyclohex-3-ene-1-carboxylic acid allyl ester Formula: C17H18O3S MolecularWeight: 302.38802

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=CC1=O)SC2=CC=CC=C2)C(=O)OCC=C

Isomeric SMILES

CC1(CCC(=CC1=O)SC2=CC=CC=C2)C(=O)OCC=C

InChI

InChI=1S/C17H18O3S/c1-3-11-20-16(19)17(2)10-9-14(12-15(17)18)21-13-7-5-4-6-8-13/h3-8,12H,1,9-11H2,2H3