4-methyl-2-[(4-thiophen-2-ylphenyl)methylsulfonyl]pentanoic acid

Systemtic Name: 4-methyl-2-[(4-thiophen-2-ylphenyl)methylsulfonyl]pentanoic acid Openeye Name: 4-methyl-2-[[4-(2-thienyl)phenyl]methylsulfonyl]pentanoic acid CAS Name: 4-methyl-2-[(4-thiophen-2-ylphenyl)methylsulfonyl]pentanoic acid IUPAC Name: 4-methyl-2-[(4-thiophen-2-ylphenyl)methylsulfonyl]pentanoic acid Traditional Name: 4-methyl-2-[4-(2-thienyl)benzyl]sulfonyl-valeric acid Formula: C17H20O4S2 MolecularWeight: 352.4683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)S(=O)(=O)CC1=CC=C(C=C1)C2=CC=CS2

Isomeric SMILES

CC(C)CC(C(=O)O)S(=O)(=O)CC1=CC=C(C=C1)C2=CC=CS2

InChI

InChI=1S/C17H20O4S2/c1-12(2)10-16(17(18)19)23(20,21)11-13-5-7-14(8-6-13)15-4-3-9-22-15/h3-9,12,16H,10-11H2,1-2H3,(H,18,19)