2-[1-(3-acetamidophenyl)imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(3-acetamidophenyl)imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(3-acetamidophenyl)imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(3-acetamidophenyl)-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-(3-acetamidophenyl)imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(3-acetamidophenyl)imidazol-2-yl]thio]acetic acid Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C=CN=C2SCC(=O)O

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C=CN=C2SCC(=O)O

InChI

InChI=1S/C13H13N3O3S/c1-9(17)15-10-3-2-4-11(7-10)16-6-5-14-13(16)20-8-12(18)19/h2-7H,8H2,1H3,(H,15,17)(H,18,19)