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

Systemtic Name: methyl 4-[(7-chloranyl-2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl)sulfanyl]butanoate Openeye Name: methyl 4-[(7-chloro-2-hydroxy-4-oxo-1H-quinolin-3-yl)sulfanyl]butanoate CAS Name: 4-[(7-chloro-2-hydroxy-4-oxo-1H-quinolin-3-yl)thio]butanoic acid methyl ester IUPAC Name: methyl 4-[(7-chloro-2-hydroxy-4-oxo-1H-quinolin-3-yl)sulfanyl]butanoate Traditional Name: 4-[(7-chloro-2-hydroxy-4-keto-1H-quinolin-3-yl)thio]butyric acid methyl ester Formula: C14H14ClNO4S MolecularWeight: 327.78326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC1=C(NC2=C(C1=O)C=CC(=C2)Cl)O

Isomeric SMILES

COC(=O)CCCSC1=C(NC2=C(C1=O)C=CC(=C2)Cl)O

InChI

InChI=1S/C14H14ClNO4S/c1-20-11(17)3-2-6-21-13-12(18)9-5-4-8(15)7-10(9)16-14(13)19/h4-5,7H,2-3,6H2,1H3,(H2,16,18,19)