2-[4-(2-phenylsulfanylethanoylamino)phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-(2-phenylsulfanylethanoylamino)phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[[1-oxo-2-(phenylthio)ethyl]amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[[2-(phenylthio)acetyl]amino]phenyl]cinchoninic acid Formula: C24H18N2O3S MolecularWeight: 414.47632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)O

InChI

InChI=1S/C24H18N2O3S/c27-23(15-30-18-6-2-1-3-7-18)25-17-12-10-16(11-13-17)22-14-20(24(28)29)19-8-4-5-9-21(19)26-22/h1-14H,15H2,(H,25,27)(H,28,29)