4-[[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]methyl]benzoic acid Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN1C=CN=C1SCC(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H15N3O3S/c1-17-7-6-15-14(17)21-9-12(18)16-8-10-2-4-11(5-3-10)13(19)20/h2-7H,8-9H2,1H3,(H,16,18)(H,19,20)