sulfanyl 2-(2-azanylethyl)quinoline-3-carboxylate

Systemtic Name: sulfanyl 2-(2-azanylethyl)quinoline-3-carboxylate Openeye Name: sulfanyl 2-(2-aminoethyl)quinoline-3-carboxylate CAS Name: 2-(2-aminoethyl)-3-quinolinecarboxylic acid mercapto ester IUPAC Name: sulfanyl 2-(2-aminoethyl)quinoline-3-carboxylate Traditional Name: 2-(2-aminoethyl)quinoline-3-carboxylic acid mercapto ester Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=N2)CCN)C(=O)OS

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=N2)CCN)C(=O)OS

InChI

InChI=1S/C12H12N2O2S/c13-6-5-11-9(12(15)16-17)7-8-3-1-2-4-10(8)14-11/h1-4,7,17H,5-6,13H2