2-[3,5-dimethyl-4-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-phenoxy]ethanoic acid

Systemtic Name: 2-[3,5-dimethyl-4-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-phenoxy]ethanoic acid Openeye Name: 2-[3,5-dimethyl-4-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-phenoxy]acetic acid CAS Name: 2-[3,5-dimethyl-4-[(3-methyl-5-nitro-4-imidazolyl)thio]phenoxy]acetic acid IUPAC Name: 2-[3,5-dimethyl-4-(3-methyl-5-nitroimidazol-4-yl)sulfanylphenoxy]acetic acid Traditional Name: 2-[3,5-dimethyl-4-[(3-methyl-5-nitro-imidazol-4-yl)thio]phenoxy]acetic acid Formula: C14H15N3O5S MolecularWeight: 337.351

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1SC2=C(N=CN2C)[N+](=O)[O-])C)OCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1SC2=C(N=CN2C)[N+](=O)[O-])C)OCC(=O)O

InChI

InChI=1S/C14H15N3O5S/c1-8-4-10(22-6-11(18)19)5-9(2)12(8)23-14-13(17(20)21)15-7-16(14)3/h4-5,7H,6H2,1-3H3,(H,18,19)