methyl 3-methyl-2-oxidanylidene-4-phenylsulfanyl-cyclopent-3-ene-1-carboxylate

Systemtic Name: methyl 3-methyl-2-oxidanylidene-4-phenylsulfanyl-cyclopent-3-ene-1-carboxylate Openeye Name: methyl 3-methyl-2-oxo-4-phenylsulfanyl-cyclopent-3-ene-1-carboxylate CAS Name: 3-methyl-2-oxo-4-(phenylthio)-1-cyclopent-3-enecarboxylic acid methyl ester IUPAC Name: methyl 3-methyl-2-oxo-4-phenylsulfanylcyclopent-3-ene-1-carboxylate Traditional Name: 2-keto-3-methyl-4-(phenylthio)cyclopent-3-ene-1-carboxylic acid methyl ester Formula: C14H14O3S MolecularWeight: 262.32416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C1=O)C(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

CC1=C(CC(C1=O)C(=O)OC)SC2=CC=CC=C2

InChI

InChI=1S/C14H14O3S/c1-9-12(18-10-6-4-3-5-7-10)8-11(13(9)15)14(16)17-2/h3-7,11H,8H2,1-2H3