2-(2-ethylsulfanyl-3-methyl-imidazol-4-yl)quinoline-4-carboxylic acid

Systemtic Name: 2-(2-ethylsulfanyl-3-methyl-imidazol-4-yl)quinoline-4-carboxylic acid Openeye Name: 2-(2-ethylsulfanyl-3-methyl-imidazol-4-yl)quinoline-4-carboxylic acid CAS Name: 2-[2-(ethylthio)-3-methyl-4-imidazolyl]-4-quinolinecarboxylic acid IUPAC Name: 2-(2-ethylsulfanyl-3-methylimidazol-4-yl)quinoline-4-carboxylic acid Traditional Name: 2-[2-(ethylthio)-3-methyl-imidazol-4-yl]cinchoninic acid Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(N1C)C2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

CCSC1=NC=C(N1C)C2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C16H15N3O2S/c1-3-22-16-17-9-14(19(16)2)13-8-11(15(20)21)10-6-4-5-7-12(10)18-13/h4-9H,3H2,1-2H3,(H,20,21)