5-[(4-methylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[(4-methylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[(4-methyl-2-quinolyl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(4-methyl-2-quinolinyl)thio]methyl]-2-furancarboxylate IUPAC Name: 5-[(4-methylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4-methyl-2-quinolyl)thio]methyl]-2-furoate Formula: C16H12NO3S- MolecularWeight: 298.33638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC3=CC=C(O3)C(=O)[O-]

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC3=CC=C(O3)C(=O)[O-]

InChI

InChI=1S/C16H13NO3S/c1-10-8-15(17-13-5-3-2-4-12(10)13)21-9-11-6-7-14(20-11)16(18)19/h2-8H,9H2,1H3,(H,18,19)/p-1