2-azanyl-4-[2-(4-ethylsulfanylphenyl)phenyl]carbonyl-quinoline-3-carboxylic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C2=CC=CC=C2C(=O)C3=C(C(=NC4=CC=CC=C43)N)C(=O)O

Isomeric SMILES

CCSC1=CC=C(C=C1)C2=CC=CC=C2C(=O)C3=C(C(=NC4=CC=CC=C43)N)C(=O)O

InChI

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