2-[2-[4-methyl-3-(2-methylpropyl)-2-oxidanylidene-imidazol-1-yl]phenyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[4-methyl-3-(2-methylpropyl)-2-oxidanylidene-imidazol-1-yl]phenyl]sulfanylethanoic acid Openeye Name: 2-[2-(3-isobutyl-4-methyl-2-oxo-imidazol-1-yl)phenyl]sulfanylacetic acid CAS Name: 2-[[2-[4-methyl-3-(2-methylpropyl)-2-oxo-1-imidazolyl]phenyl]thio]acetic acid IUPAC Name: 2-[2-[4-methyl-3-(2-methylpropyl)-2-oxoimidazol-1-yl]phenyl]sulfanylacetic acid Traditional Name: 2-[[2-(3-isobutyl-2-keto-4-methyl-4-imidazolin-1-yl)phenyl]thio]acetic acid Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N1CC(C)C)C2=CC=CC=C2SCC(=O)O

Isomeric SMILES

CC1=CN(C(=O)N1CC(C)C)C2=CC=CC=C2SCC(=O)O

InChI

InChI=1S/C16H20N2O3S/c1-11(2)8-17-12(3)9-18(16(17)21)13-6-4-5-7-14(13)22-10-15(19)20/h4-7,9,11H,8,10H2,1-3H3,(H,19,20)