4-(2-quinolin-8-ylsulfanylethanoylamino)benzoate

Systemtic Name: 4-(2-quinolin-8-ylsulfanylethanoylamino)benzoate Openeye Name: 4-[[2-(8-quinolylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(8-quinolinylthio)ethyl]amino]benzoate IUPAC Name: 4-[(2-quinolin-8-ylsulfanylacetyl)amino]benzoate Traditional Name: 4-[[2-(8-quinolylthio)acetyl]amino]benzoate Formula: C18H13N2O3S- MolecularWeight: 337.37242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SCC(=O)NC3=CC=C(C=C3)C(=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SCC(=O)NC3=CC=C(C=C3)C(=O)[O-])N=CC=C2

InChI

InChI=1S/C18H14N2O3S/c21-16(20-14-8-6-13(7-9-14)18(22)23)11-24-15-5-1-3-12-4-2-10-19-17(12)15/h1-10H,11H2,(H,20,21)(H,22,23)/p-1