(2-chloranylquinolin-3-yl)methyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: (2-chloro-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-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-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-3-quinolyl)methyl ester Formula: C17H13ClN2O3S MolecularWeight: 360.81472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=N2)Cl)COC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=N2)Cl)COC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H13ClN2O3S/c18-17-13(9-12-5-1-2-6-14(12)19-17)10-23-16(21)11-24-15-7-3-4-8-20(15)22/h1-9H,10-11H2