ethyl 2-[2-(3-cyano-6,7-dimethyl-quinolin-2-yl)sulfanylethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(3-cyano-6,7-dimethyl-quinolin-2-yl)sulfanylethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[2-[(3-cyano-6,7-dimethyl-2-quinolyl)sulfanyl]acetyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[(3-cyano-6,7-dimethyl-2-quinolinyl)thio]-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[(3-cyano-6,7-dimethyl-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:

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NC3=CC(=C(C=C3C=C2C#N)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NC3=CC(=C(C=C3C=C2C#N)C)C)C

InChI

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