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

Systemtic Name: 1-methyl-2-oxidanylidene-5-(phenylsulfanylmethyl)cyclopentane-1-carboxylic acid Openeye Name: 1-methyl-2-oxo-5-(phenylsulfanylmethyl)cyclopentanecarboxylic acid CAS Name: 1-methyl-2-oxo-5-[(phenylthio)methyl]-1-cyclopentanecarboxylic acid IUPAC Name: 1-methyl-2-oxo-5-(phenylsulfanylmethyl)cyclopentane-1-carboxylic acid Traditional Name: 2-keto-1-methyl-5-[(phenylthio)methyl]cyclopentanecarboxylic acid Formula: C14H16O3S MolecularWeight: 264.34004

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1=O)CSC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1(C(CCC1=O)CSC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H16O3S/c1-14(13(16)17)10(7-8-12(14)15)9-18-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,16,17)