2-[(3-chlorophenyl)amino]-7-methylsulfanyl-quinoline-3-carboxylic acid

Systemtic Name: 2-[(3-chlorophenyl)amino]-7-methylsulfanyl-quinoline-3-carboxylic acid Openeye Name: 2-(3-chloroanilino)-7-methylsulfanyl-quinoline-3-carboxylic acid CAS Name: 2-(3-chloroanilino)-7-(methylthio)-3-quinolinecarboxylic acid IUPAC Name: 2-(3-chloroanilino)-7-methylsulfanylquinoline-3-carboxylic acid Traditional Name: 2-(3-chloroanilino)-7-(methylthio)quinoline-3-carboxylic acid Formula: C17H13ClN2O2S MolecularWeight: 344.81532

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)C(=O)O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)C(=O)O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H13ClN2O2S/c1-23-13-6-5-10-7-14(17(21)22)16(20-15(10)9-13)19-12-4-2-3-11(18)8-12/h2-9H,1H3,(H,19,20)(H,21,22)