(2S)-2-(3-chloranyl-4-methylsulfonyl-phenyl)-3-[(1R)-2-oxidanylidenecyclopentyl]propanoic acid

Systemtic Name: (2S)-2-(3-chloranyl-4-methylsulfonyl-phenyl)-3-[(1R)-2-oxidanylidenecyclopentyl]propanoic acid Openeye Name: (2S)-2-(3-chloro-4-methylsulfonyl-phenyl)-3-[(1R)-2-oxocyclopentyl]propanoic acid CAS Name: (2S)-2-(3-chloro-4-methylsulfonylphenyl)-3-[(1R)-2-oxocyclopentyl]propanoic acid IUPAC Name: (2S)-2-(3-chloro-4-methylsulfonylphenyl)-3-[(1R)-2-oxocyclopentyl]propanoic acid Traditional Name: (2S)-2-(3-chloro-4-mesyl-phenyl)-3-[(1R)-2-ketocyclopentyl]propionic acid Formula: C15H17ClO5S MolecularWeight: 344.81048

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(CC2CCCC2=O)C(=O)O)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)[C@H](C[C@H]2CCCC2=O)C(=O)O)Cl

InChI

InChI=1S/C15H17ClO5S/c1-22(20,21)14-6-5-9(8-12(14)16)11(15(18)19)7-10-3-2-4-13(10)17/h5-6,8,10-11H,2-4,7H2,1H3,(H,18,19)/t10-,11+/m1/s1