3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-2-oxidanyl-2-phenylsulfanyl-butanoic acid

Systemtic Name: 3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-2-oxidanyl-2-phenylsulfanyl-butanoic acid Openeye Name: 2-hydroxy-3-(4-methoxyphenyl)-4-(5-methyl-2-thienyl)-2-phenylsulfanyl-butanoic acid CAS Name: 2-hydroxy-3-(4-methoxyphenyl)-4-(5-methyl-2-thiophenyl)-2-(phenylthio)butanoic acid IUPAC Name: 2-hydroxy-3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-2-phenylsulfanylbutanoic acid Traditional Name: 2-hydroxy-3-(4-methoxyphenyl)-4-(5-methyl-2-thienyl)-2-(phenylthio)butyric acid Formula: C22H22O4S2 MolecularWeight: 414.53768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CC(C2=CC=C(C=C2)OC)C(C(=O)O)(O)SC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(S1)CC(C2=CC=C(C=C2)OC)C(C(=O)O)(O)SC3=CC=CC=C3

InChI

InChI=1S/C22H22O4S2/c1-15-8-13-19(27-15)14-20(16-9-11-17(26-2)12-10-16)22(25,21(23)24)28-18-6-4-3-5-7-18/h3-13,20,25H,14H2,1-2H3,(H,23,24)