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

Systemtic Name: 2-[(1-ethyl-2-oxidanylidene-quinolin-3-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(1-ethyl-2-oxo-3-quinolyl)methylsulfanyl]acetic acid CAS Name: 2-[(1-ethyl-2-oxo-3-quinolinyl)methylthio]acetic acid IUPAC Name: 2-[(1-ethyl-2-oxoquinolin-3-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(1-ethyl-2-keto-3-quinolyl)methylthio]acetic acid Formula: C14H15NO3S MolecularWeight: 277.3388

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C=C(C1=O)CSCC(=O)O

Isomeric SMILES

CCN1C2=CC=CC=C2C=C(C1=O)CSCC(=O)O

InChI

InChI=1S/C14H15NO3S/c1-2-15-12-6-4-3-5-10(12)7-11(14(15)18)8-19-9-13(16)17/h3-7H,2,8-9H2,1H3,(H,16,17)