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

Systemtic Name: prop-2-enyl 1,3-dimethyl-2-oxidanylidene-4-phenylsulfanyl-cyclohex-3-ene-1-carboxylate Openeye Name: allyl 1,3-dimethyl-2-oxo-4-phenylsulfanyl-cyclohex-3-ene-1-carboxylate CAS Name: 1,3-dimethyl-2-oxo-4-(phenylthio)-1-cyclohex-3-enecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 1,3-dimethyl-2-oxo-4-phenylsulfanylcyclohex-3-ene-1-carboxylate Traditional Name: 2-keto-1,3-dimethyl-4-(phenylthio)cyclohex-3-ene-1-carboxylic acid allyl ester Formula: C18H20O3S MolecularWeight: 316.4146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CCC(C1=O)(C)C(=O)OCC=C)SC2=CC=CC=C2

Isomeric SMILES

CC1=C(CCC(C1=O)(C)C(=O)OCC=C)SC2=CC=CC=C2

InChI

InChI=1S/C18H20O3S/c1-4-12-21-17(20)18(3)11-10-15(13(2)16(18)19)22-14-8-6-5-7-9-14/h4-9H,1,10-12H2,2-3H3