2-azanyl-2-[3-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-4-oxidanyl-phenyl]ethanoic acid

Systemtic Name: 2-azanyl-2-[3-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-4-oxidanyl-phenyl]ethanoic acid Openeye Name: 2-amino-2-[3-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-4-hydroxy-phenyl]acetic acid CAS Name: 2-amino-2-[3-[(4,5-dihydro-1H-imidazol-2-ylthio)methyl]-4-hydroxyphenyl]acetic acid IUPAC Name: 2-amino-2-[3-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-4-hydroxyphenyl]acetic acid Traditional Name: 2-amino-2-[4-hydroxy-3-[(2-imidazolin-2-ylthio)methyl]phenyl]acetic acid Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)SCC2=C(C=CC(=C2)C(C(=O)O)N)O

Isomeric SMILES

C1CN=C(N1)SCC2=C(C=CC(=C2)C(C(=O)O)N)O

InChI

InChI=1S/C12H15N3O3S/c13-10(11(17)18)7-1-2-9(16)8(5-7)6-19-12-14-3-4-15-12/h1-2,5,10,16H,3-4,6,13H2,(H,14,15)(H,17,18)