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

Systemtic Name: 3-butyl-4-(carboxymethylsulfanyl)-2-methyl-quinoline-6-carboxylic acid Openeye Name: 3-butyl-4-(carboxymethylsulfanyl)-2-methyl-quinoline-6-carboxylic acid CAS Name: 3-butyl-4-(carboxymethylthio)-2-methyl-6-quinolinecarboxylic acid IUPAC Name: 3-butyl-4-(carboxymethylsulfanyl)-2-methylquinoline-6-carboxylic acid Traditional Name: 3-butyl-4-(carboxymethylthio)-2-methyl-quinoline-6-carboxylic acid Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C=CC(=C2)C(=O)O)N=C1C)SCC(=O)O

Isomeric SMILES

CCCCC1=C(C2=C(C=CC(=C2)C(=O)O)N=C1C)SCC(=O)O

InChI

InChI=1S/C17H19NO4S/c1-3-4-5-12-10(2)18-14-7-6-11(17(21)22)8-13(14)16(12)23-9-15(19)20/h6-8H,3-5,9H2,1-2H3,(H,19,20)(H,21,22)