methyl 2-oxidanylidene-1-[(E)-4-phenylsulfanylbut-3-enyl]cyclopentane-1-carboxylate

Systemtic Name: methyl 2-oxidanylidene-1-[(E)-4-phenylsulfanylbut-3-enyl]cyclopentane-1-carboxylate Openeye Name: methyl 2-oxo-1-[(E)-4-phenylsulfanylbut-3-enyl]cyclopentanecarboxylate CAS Name: 2-oxo-1-[(E)-4-(phenylthio)but-3-enyl]-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl 2-oxo-1-[(E)-4-phenylsulfanylbut-3-enyl]cyclopentane-1-carboxylate Traditional Name: 2-keto-1-[(E)-4-(phenylthio)but-3-enyl]cyclopentanecarboxylic acid methyl ester Formula: C17H20O3S MolecularWeight: 304.4039

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCC1=O)CCC=CSC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1(CCCC1=O)CC/C=C/SC2=CC=CC=C2

InChI

InChI=1S/C17H20O3S/c1-20-16(19)17(12-7-10-15(17)18)11-5-6-13-21-14-8-3-2-4-9-14/h2-4,6,8-9,13H,5,7,10-12H2,1H3/b13-6+