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

Systemtic Name: ethyl 2-[2-(3-cyano-7-methyl-quinolin-2-yl)sulfanylethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[2-[(3-cyano-7-methyl-2-quinolyl)sulfanyl]acetyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[(3-cyano-7-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[(3-cyano-7-methyl-2-quinolyl)thio]acetyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C20H18N4O3S2 MolecularWeight: 426.51192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NC3=C(C=CC(=C3)C)C=C2C#N)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NC3=C(C=CC(=C3)C)C=C2C#N)C

InChI

InChI=1S/C20H18N4O3S2/c1-4-27-19(26)17-12(3)22-20(29-17)24-16(25)10-28-18-14(9-21)8-13-6-5-11(2)7-15(13)23-18/h5-8H,4,10H2,1-3H3,(H,22,24,25)