4-[(2-quinolin-8-ylsulfanylethanoylamino)methyl]benzoic acid

Systemtic Name: 4-[(2-quinolin-8-ylsulfanylethanoylamino)methyl]benzoic acid Openeye Name: 4-[[[2-(8-quinolylsulfanyl)acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[1-oxo-2-(8-quinolinylthio)ethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(2-quinolin-8-ylsulfanylacetyl)amino]methyl]benzoic acid Traditional Name: 4-[[[2-(8-quinolylthio)acetyl]amino]methyl]benzoic acid Formula: C19H16N2O3S MolecularWeight: 352.40694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SCC(=O)NCC3=CC=C(C=C3)C(=O)O)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SCC(=O)NCC3=CC=C(C=C3)C(=O)O)N=CC=C2

InChI

InChI=1S/C19H16N2O3S/c22-17(21-11-13-6-8-15(9-7-13)19(23)24)12-25-16-5-1-3-14-4-2-10-20-18(14)16/h1-10H,11-12H2,(H,21,22)(H,23,24)