4-(carboxymethylsulfanyl)-3-ethyl-2-methyl-quinoline-6-carboxylic acid

Systemtic Name: 4-(carboxymethylsulfanyl)-3-ethyl-2-methyl-quinoline-6-carboxylic acid Openeye Name: 4-(carboxymethylsulfanyl)-3-ethyl-2-methyl-quinoline-6-carboxylic acid CAS Name: 4-(carboxymethylthio)-3-ethyl-2-methyl-6-quinolinecarboxylic acid IUPAC Name: 4-(carboxymethylsulfanyl)-3-ethyl-2-methylquinoline-6-carboxylic acid Traditional Name: 4-(carboxymethylthio)-3-ethyl-2-methyl-quinoline-6-carboxylic acid Formula: C15H15NO4S MolecularWeight: 305.3489

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=CC(=C2)C(=O)O)N=C1C)SCC(=O)O

Isomeric SMILES

CCC1=C(C2=C(C=CC(=C2)C(=O)O)N=C1C)SCC(=O)O

InChI

InChI=1S/C15H15NO4S/c1-3-10-8(2)16-12-5-4-9(15(19)20)6-11(12)14(10)21-7-13(17)18/h4-6H,3,7H2,1-2H3,(H,17,18)(H,19,20)