2-azanylethylsulfanyl quinoline-3-carboxylate

Systemtic Name: 2-azanylethylsulfanyl quinoline-3-carboxylate Openeye Name: 2-aminoethylsulfanyl quinoline-3-carboxylate CAS Name: 3-quinolinecarboxylic acid (2-aminoethylthio) ester IUPAC Name: 2-aminoethylsulfanyl quinoline-3-carboxylate Traditional Name: quinoline-3-carboxylic acid (2-aminoethylthio) ester Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)C(=O)OSCCN

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)C(=O)OSCCN

InChI

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