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

Systemtic Name: ethyl 4-methyl-2-[3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[3-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-3-[(4,6,8-trimethyl-2-quinolinyl)thio]propyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[3-[(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)CCSC2=NC3=C(C=C(C=C3C(=C2)C)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CCSC2=NC3=C(C=C(C=C3C(=C2)C)C)C)C

InChI

InChI=1S/C22H25N3O3S2/c1-6-28-21(27)20-15(5)23-22(30-20)24-17(26)7-8-29-18-11-13(3)16-10-12(2)9-14(4)19(16)25-18/h9-11H,6-8H2,1-5H3,(H,23,24,26)