2-(1-ethyl-2-oxidanylidene-quinolin-4-yl)sulfanylethanoic acid

Systemtic Name: 2-(1-ethyl-2-oxidanylidene-quinolin-4-yl)sulfanylethanoic acid Openeye Name: 2-[(1-ethyl-2-oxo-4-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(1-ethyl-2-oxo-4-quinolinyl)thio]acetic acid IUPAC Name: 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetic acid Traditional Name: 2-[(1-ethyl-2-keto-4-quinolyl)thio]acetic acid Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)O

Isomeric SMILES

CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)O

InChI

InChI=1S/C13H13NO3S/c1-2-14-10-6-4-3-5-9(10)11(7-12(14)15)18-8-13(16)17/h3-7H,2,8H2,1H3,(H,16,17)