ethyl 4-methyl-2-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[2-[(4-methyl-2-quinolyl)sulfanyl]butanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxobutyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[2-[(4-methyl-2-quinolyl)thio]butanoylamino]thiazole-5-carboxylic acid ethyl ester Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC)C)SC2=NC3=CC=CC=C3C(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC)C)SC2=NC3=CC=CC=C3C(=C2)C

InChI

InChI=1S/C21H23N3O3S2/c1-5-16(28-17-11-12(3)14-9-7-8-10-15(14)23-17)19(25)24-21-22-13(4)18(29-21)20(26)27-6-2/h7-11,16H,5-6H2,1-4H3,(H,22,24,25)