4-methyl-3-[2-(2-methylthiophen-3-yl)ethyl]-3-oxidanyl-pentanoic acid

Systemtic Name: 4-methyl-3-[2-(2-methylthiophen-3-yl)ethyl]-3-oxidanyl-pentanoic acid Openeye Name: 3-hydroxy-4-methyl-3-[2-(2-methyl-3-thienyl)ethyl]pentanoic acid CAS Name: 3-hydroxy-4-methyl-3-[2-(2-methyl-3-thiophenyl)ethyl]pentanoic acid IUPAC Name: 3-hydroxy-4-methyl-3-[2-(2-methylthiophen-3-yl)ethyl]pentanoic acid Traditional Name: 3-hydroxy-4-methyl-3-[2-(2-methyl-3-thienyl)ethyl]valeric acid Formula: C13H20O3S MolecularWeight: 256.3611

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CS1)CCC(CC(=O)O)(C(C)C)O

Isomeric SMILES

CC1=C(C=CS1)CCC(CC(=O)O)(C(C)C)O

InChI

InChI=1S/C13H20O3S/c1-9(2)13(16,8-12(14)15)6-4-11-5-7-17-10(11)3/h5,7,9,16H,4,6,8H2,1-3H3,(H,14,15)