4-[(2-pyridin-4-ylsulfanylethanoylamino)methyl]benzoic acid

Systemtic Name: 4-[(2-pyridin-4-ylsulfanylethanoylamino)methyl]benzoic acid Openeye Name: 4-[[[2-(4-pyridylsulfanyl)acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(2-pyridin-4-ylsulfanylacetyl)amino]methyl]benzoic acid Traditional Name: 4-[[[2-(4-pyridylthio)acetyl]amino]methyl]benzoic acid Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CSC2=CC=NC=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CSC2=CC=NC=C2)C(=O)O

InChI

InChI=1S/C15H14N2O3S/c18-14(10-21-13-5-7-16-8-6-13)17-9-11-1-3-12(4-2-11)15(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20)