ethyl 4-methyl-2-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-[(4,6,8-trimethyl-2-quinolinyl)thio]propyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[2-[(4,6,8-trimethyl-2-quinolyl)thio]propanoylamino]thiazole-5-carboxylic acid ethyl ester Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)C(C)SC2=NC3=C(C=C(C=C3C(=C2)C)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)C(C)SC2=NC3=C(C=C(C=C3C(=C2)C)C)C)C

InChI

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