methyl 2-(6-nitroquinolin-5-yl)sulfanylethanoate

Systemtic Name: methyl 2-(6-nitroquinolin-5-yl)sulfanylethanoate Openeye Name: methyl 2-[(6-nitro-5-quinolyl)sulfanyl]acetate CAS Name: 2-[(6-nitro-5-quinolinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(6-nitroquinolin-5-yl)sulfanylacetate Traditional Name: 2-[(6-nitro-5-quinolyl)thio]acetic acid methyl ester Formula: C12H10N2O4S MolecularWeight: 278.2838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C=CC2=C1C=CC=N2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=C(C=CC2=C1C=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O4S/c1-18-11(15)7-19-12-8-3-2-6-13-9(8)4-5-10(12)14(16)17/h2-6H,7H2,1H3