methyl 2-oxidanylidene-5-[(E)-1-phenylsulfanylbut-2-enyl]cyclopentane-1-carboxylate

Systemtic Name: methyl 2-oxidanylidene-5-[(E)-1-phenylsulfanylbut-2-enyl]cyclopentane-1-carboxylate Openeye Name: methyl 2-oxo-5-[(E)-1-phenylsulfanylbut-2-enyl]cyclopentanecarboxylate CAS Name: 2-oxo-5-[(E)-1-(phenylthio)but-2-enyl]-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl 2-oxo-5-[(E)-1-phenylsulfanylbut-2-enyl]cyclopentane-1-carboxylate Traditional Name: 2-keto-5-[(E)-1-(phenylthio)but-2-enyl]cyclopentanecarboxylic acid methyl ester Formula: C17H20O3S MolecularWeight: 304.4039

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(C1CCC(=O)C1C(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

C/C=C/C(C1CCC(=O)C1C(=O)OC)SC2=CC=CC=C2

InChI

InChI=1S/C17H20O3S/c1-3-7-15(21-12-8-5-4-6-9-12)13-10-11-14(18)16(13)17(19)20-2/h3-9,13,15-16H,10-11H2,1-2H3/b7-3+