5-[2-[(5-chloranylpyridin-2-yl)-methyl-amino]ethanoylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-[2-[(5-chloranylpyridin-2-yl)-methyl-amino]ethanoylamino]thiophene-2-carboxylic acid Openeye Name: 5-[[2-[(5-chloro-2-pyridyl)-methyl-amino]acetyl]amino]thiophene-2-carboxylic acid CAS Name: 5-[[2-[(5-chloro-2-pyridinyl)-methylamino]-1-oxoethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-[[2-[(5-chloropyridin-2-yl)-methylamino]acetyl]amino]thiophene-2-carboxylic acid Traditional Name: 5-[[2-[(5-chloro-2-pyridyl)-methyl-amino]acetyl]amino]-2-thenoic acid Formula: C13H12ClN3O3S MolecularWeight: 325.77068

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(S1)C(=O)O)C2=NC=C(C=C2)Cl

Isomeric SMILES

CN(CC(=O)NC1=CC=C(S1)C(=O)O)C2=NC=C(C=C2)Cl

InChI

InChI=1S/C13H12ClN3O3S/c1-17(10-4-2-8(14)6-15-10)7-11(18)16-12-5-3-9(21-12)13(19)20/h2-6H,7H2,1H3,(H,16,18)(H,19,20)