1-(2-ethoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-5-(phenylsulfanylmethyl)cyclopentane-1-carboxylic acid

Systemtic Name: 1-(2-ethoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-5-(phenylsulfanylmethyl)cyclopentane-1-carboxylic acid Openeye Name: 1-(2-ethoxy-2-oxo-ethyl)-2-oxo-5-(phenylsulfanylmethyl)cyclopentanecarboxylic acid CAS Name: 1-(2-ethoxy-2-oxoethyl)-2-oxo-5-[(phenylthio)methyl]-1-cyclopentanecarboxylic acid IUPAC Name: 1-(2-ethoxy-2-oxoethyl)-2-oxo-5-(phenylsulfanylmethyl)cyclopentane-1-carboxylic acid Traditional Name: 1-(2-ethoxy-2-keto-ethyl)-2-keto-5-[(phenylthio)methyl]cyclopentanecarboxylic acid Formula: C17H20O5S MolecularWeight: 336.4027

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20O5S/c1-2-22-15(19)10-17(16(20)21)12(8-9-14(17)18)11-23-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H,20,21)