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

Systemtic Name: ethyl 2-[(7-chloranyl-2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl)sulfanyl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C13H12ClNO4S MolecularWeight: 313.75668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClNO4S/c1-2-19-10(16)6-20-12-11(17)8-4-3-7(14)5-9(8)15-13(12)18/h3-5H,2,6H2,1H3,(H2,15,17,18)