7-[[2-(4-ethylsulfanylphenyl)phenyl]carbonylamino]quinoline-3-carboxylic acid

Systemtic Name: 7-[[2-(4-ethylsulfanylphenyl)phenyl]carbonylamino]quinoline-3-carboxylic acid Openeye Name: 7-[[2-(4-ethylsulfanylphenyl)benzoyl]amino]quinoline-3-carboxylic acid CAS Name: 7-[[[2-[4-(ethylthio)phenyl]phenyl]-oxomethyl]amino]-3-quinolinecarboxylic acid IUPAC Name: 7-[[2-(4-ethylsulfanylphenyl)benzoyl]amino]quinoline-3-carboxylic acid Traditional Name: 7-[[2-[4-(ethylthio)phenyl]benzoyl]amino]quinoline-3-carboxylic acid Formula: C25H20N2O3S MolecularWeight: 428.5029

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC4=NC=C(C=C4C=C3)C(=O)O

Isomeric SMILES

CCSC1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC4=NC=C(C=C4C=C3)C(=O)O

InChI

InChI=1S/C25H20N2O3S/c1-2-31-20-11-8-16(9-12-20)21-5-3-4-6-22(21)24(28)27-19-10-7-17-13-18(25(29)30)15-26-23(17)14-19/h3-15H,2H2,1H3,(H,27,28)(H,29,30)