1-methyl-2-oxidanylidene-5-(1-phenylsulfanylethyl)cyclopentane-1-carboxylic acid

Systemtic Name: 1-methyl-2-oxidanylidene-5-(1-phenylsulfanylethyl)cyclopentane-1-carboxylic acid Openeye Name: 1-methyl-2-oxo-5-(1-phenylsulfanylethyl)cyclopentanecarboxylic acid CAS Name: 1-methyl-2-oxo-5-[1-(phenylthio)ethyl]-1-cyclopentanecarboxylic acid IUPAC Name: 1-methyl-2-oxo-5-(1-phenylsulfanylethyl)cyclopentane-1-carboxylic acid Traditional Name: 2-keto-1-methyl-5-[1-(phenylthio)ethyl]cyclopentanecarboxylic acid Formula: C15H18O3S MolecularWeight: 278.36662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC(=O)C1(C)C(=O)O)SC2=CC=CC=C2

Isomeric SMILES

CC(C1CCC(=O)C1(C)C(=O)O)SC2=CC=CC=C2

InChI

InChI=1S/C15H18O3S/c1-10(19-11-6-4-3-5-7-11)12-8-9-13(16)15(12,2)14(17)18/h3-7,10,12H,8-9H2,1-2H3,(H,17,18)