ethyl 2-[2-(3-cyano-6-ethyl-quinolin-2-yl)sulfanylethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(3-cyano-6-ethyl-quinolin-2-yl)sulfanylethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[2-[(3-cyano-6-ethyl-2-quinolyl)sulfanyl]acetyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[(3-cyano-6-ethyl-2-quinolinyl)thio]-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-cyano-6-ethylquinolin-2-yl)sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[(3-cyano-6-ethyl-2-quinolyl)thio]acetyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=NC(=C(S3)C(=O)OCC)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=NC(=C(S3)C(=O)OCC)C

InChI

InChI=1S/C21H20N4O3S2/c1-4-13-6-7-16-14(8-13)9-15(10-22)19(24-16)29-11-17(26)25-21-23-12(3)18(30-21)20(27)28-5-2/h6-9H,4-5,11H2,1-3H3,(H,23,25,26)