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

Systemtic Name: 4-(carboxymethylsulfanyl)-2-methyl-3-propyl-quinoline-6-carboxylic acid Openeye Name: 4-(carboxymethylsulfanyl)-2-methyl-3-propyl-quinoline-6-carboxylic acid CAS Name: 4-(carboxymethylthio)-2-methyl-3-propyl-6-quinolinecarboxylic acid IUPAC Name: 4-(carboxymethylsulfanyl)-2-methyl-3-propylquinoline-6-carboxylic acid Traditional Name: 4-(carboxymethylthio)-2-methyl-3-propyl-quinoline-6-carboxylic acid Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C=CC(=C2)C(=O)O)N=C1C)SCC(=O)O

Isomeric SMILES

CCCC1=C(C2=C(C=CC(=C2)C(=O)O)N=C1C)SCC(=O)O

InChI

InChI=1S/C16H17NO4S/c1-3-4-11-9(2)17-13-6-5-10(16(20)21)7-12(13)15(11)22-8-14(18)19/h5-7H,3-4,8H2,1-2H3,(H,18,19)(H,20,21)