(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: (2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: (2-chloro-7,8-dimethyl-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-7,8-dimethyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7,8-dimethylquinolin-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-7,8-dimethyl-3-quinolyl)methyl ester Formula: C19H17ClN2O3S MolecularWeight: 388.86788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)CSC3=CC=CC=[N+]3[O-])Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)CSC3=CC=CC=[N+]3[O-])Cl)C

InChI

InChI=1S/C19H17ClN2O3S/c1-12-6-7-14-9-15(19(20)21-18(14)13(12)2)10-25-17(23)11-26-16-5-3-4-8-22(16)24/h3-9H,10-11H2,1-2H3