(2R)-2-(3-chloranyl-4-methylsulfanyl-phenyl)-3-(3-oxidanylidenecyclopentyl)propanoic acid

Systemtic Name: (2R)-2-(3-chloranyl-4-methylsulfanyl-phenyl)-3-(3-oxidanylidenecyclopentyl)propanoic acid Openeye Name: (2R)-2-(3-chloro-4-methylsulfanyl-phenyl)-3-(3-oxocyclopentyl)propanoic acid CAS Name: (2R)-2-[3-chloro-4-(methylthio)phenyl]-3-(3-oxocyclopentyl)propanoic acid IUPAC Name: (2R)-2-(3-chloro-4-methylsulfanylphenyl)-3-(3-oxocyclopentyl)propanoic acid Traditional Name: (2R)-2-[3-chloro-4-(methylthio)phenyl]-3-(3-ketocyclopentyl)propionic acid Formula: C15H17ClO3S MolecularWeight: 312.81168

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(CC2CCC(=O)C2)C(=O)O)Cl

Isomeric SMILES

CSC1=C(C=C(C=C1)[C@@H](CC2CCC(=O)C2)C(=O)O)Cl

InChI

InChI=1S/C15H17ClO3S/c1-20-14-5-3-10(8-13(14)16)12(15(18)19)7-9-2-4-11(17)6-9/h3,5,8-9,12H,2,4,6-7H2,1H3,(H,18,19)/t9?,12-/m1/s1