methyl 2-[(7-chloranyl-2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-[(7-chloranyl-2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(7-chloro-2-hydroxy-4-oxo-1H-quinolin-3-yl)sulfanyl]acetate CAS Name: 2-[(7-chloro-2-hydroxy-4-oxo-1H-quinolin-3-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(7-chloro-2-hydroxy-4-oxo-1H-quinolin-3-yl)sulfanyl]acetate Traditional Name: 2-[(7-chloro-2-hydroxy-4-keto-1H-quinolin-3-yl)thio]acetic acid methyl ester Formula: C12H10ClNO4S MolecularWeight: 299.7301

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(NC2=C(C1=O)C=CC(=C2)Cl)O

Isomeric SMILES

COC(=O)CSC1=C(NC2=C(C1=O)C=CC(=C2)Cl)O

InChI

InChI=1S/C12H10ClNO4S/c1-18-9(15)5-19-11-10(16)7-3-2-6(13)4-8(7)14-12(11)17/h2-4H,5H2,1H3,(H2,14,16,17)