methyl 2-oxidanylidene-1-(2-phenylsulfanylethyl)cyclopentane-1-carboxylate

Systemtic Name: methyl 2-oxidanylidene-1-(2-phenylsulfanylethyl)cyclopentane-1-carboxylate Openeye Name: methyl 2-oxo-1-(2-phenylsulfanylethyl)cyclopentanecarboxylate CAS Name: 2-oxo-1-[2-(phenylthio)ethyl]-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl 2-oxo-1-(2-phenylsulfanylethyl)cyclopentane-1-carboxylate Traditional Name: 2-keto-1-[2-(phenylthio)ethyl]cyclopentanecarboxylic acid methyl ester Formula: C15H18O3S MolecularWeight: 278.36662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCC1=O)CCSC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1(CCCC1=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C15H18O3S/c1-18-14(17)15(9-5-8-13(15)16)10-11-19-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3