6-(2-azanylethylsulfanyl)-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-(2-azanylethylsulfanyl)-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-(2-aminoethylsulfanyl)-1-ethyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-(2-aminoethylthio)-1-ethyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-(2-aminoethylsulfanyl)-1-ethyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(2-aminoethylthio)-1-ethyl-4-keto-quinoline-3-carboxylic acid Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)SCCN)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)SCCN)C(=O)O

InChI

InChI=1S/C14H16N2O3S/c1-2-16-8-11(14(18)19)13(17)10-7-9(20-6-5-15)3-4-12(10)16/h3-4,7-8H,2,5-6,15H2,1H3,(H,18,19)