ethyl 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[2-[(4,8-dimethyl-2-quinolyl)sulfanyl]butanoylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxobutyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-[(4,8-dimethyl-2-quinolyl)thio]butanoylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S2/c1-6-16(20(26)25-22-23-14(5)19(30-22)21(27)28-7-2)29-17-11-13(4)15-10-8-9-12(3)18(15)24-17/h8-11,16H,6-7H2,1-5H3,(H,23,25,26)