2-[(1-methyl-2-oxidanylidene-quinolin-3-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(1-methyl-2-oxidanylidene-quinolin-3-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(1-methyl-2-oxo-3-quinolyl)methylsulfanyl]acetic acid CAS Name: 2-[(1-methyl-2-oxo-3-quinolinyl)methylthio]acetic acid IUPAC Name: 2-[(1-methyl-2-oxoquinolin-3-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(2-keto-1-methyl-3-quinolyl)methylthio]acetic acid Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C=C(C1=O)CSCC(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2C=C(C1=O)CSCC(=O)O

InChI

InChI=1S/C13H13NO3S/c1-14-11-5-3-2-4-9(11)6-10(13(14)17)7-18-8-12(15)16/h2-6H,7-8H2,1H3,(H,15,16)