(2-chloranyl-7-methoxy-quinolin-3-yl)methyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: (2-chloranyl-7-methoxy-quinolin-3-yl)methyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: (2-chloro-7-methoxy-3-quinolyl)methyl 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]acetic acid (2-chloro-7-methoxy-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methoxyquinolin-3-yl)methyl 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetic acid (2-chloro-7-methoxy-3-quinolyl)methyl ester Formula: C18H15ClN2O4S MolecularWeight: 390.8407

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)CSC3=CC=CC=[N+]3[O-])Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)CSC3=CC=CC=[N+]3[O-])Cl

InChI

InChI=1S/C18H15ClN2O4S/c1-24-14-6-5-12-8-13(18(19)20-15(12)9-14)10-25-17(22)11-26-16-4-2-3-7-21(16)23/h2-9H,10-11H2,1H3