3-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]benzoic acid

Systemtic Name: 3-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]benzoic acid CAS Name: 3-[[3-[(1-methyl-2-imidazolyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[3-[(1-methylimidazol-2-yl)thio]propanoylamino]benzoic acid Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCC(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CN1C=CN=C1SCCC(=O)NC2=CC=CC(=C2)C(=O)O

InChI

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