ethyl 1-ethyl-2-methyl-7-pyridin-4-yl-4-sulfanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-ethyl-2-methyl-7-pyridin-4-yl-4-sulfanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-ethyl-2-methyl-7-(4-pyridyl)-4-thioxo-quinoline-3-carboxylate CAS Name: 1-ethyl-2-methyl-7-pyridin-4-yl-4-sulfanylidene-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-methyl-7-pyridin-4-yl-4-sulfanylidenequinoline-3-carboxylate Traditional Name: 1-ethyl-2-methyl-7-(4-pyridyl)-4-thioxo-quinoline-3-carboxylic acid ethyl ester Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=S)C2=C1C=C(C=C2)C3=CC=NC=C3)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C(=S)C2=C1C=C(C=C2)C3=CC=NC=C3)C(=O)OCC)C

InChI

InChI=1S/C20H20N2O2S/c1-4-22-13(3)18(20(23)24-5-2)19(25)16-7-6-15(12-17(16)22)14-8-10-21-11-9-14/h6-12H,4-5H2,1-3H3