ethyl 1-pentyl-4-sulfanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-pentyl-4-sulfanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-pentyl-4-thioxo-quinoline-3-carboxylate CAS Name: 1-pentyl-4-sulfanylidene-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-pentyl-4-sulfanylidenequinoline-3-carboxylate Traditional Name: 1-amyl-4-thioxo-quinoline-3-carboxylic acid ethyl ester Formula: C17H21NO2S MolecularWeight: 303.41914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=C(C(=S)C2=CC=CC=C21)C(=O)OCC

Isomeric SMILES

CCCCCN1C=C(C(=S)C2=CC=CC=C21)C(=O)OCC

InChI

InChI=1S/C17H21NO2S/c1-3-5-8-11-18-12-14(17(19)20-4-2)16(21)13-9-6-7-10-15(13)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3