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

Systemtic Name: ethyl 4-methyl-2-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[3-[(4-methyl-2-quinolyl)sulfanyl]propanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[3-[(4-methyl-2-quinolinyl)thio]-1-oxopropyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[3-[(4-methyl-2-quinolyl)thio]propanoylamino]thiazole-5-carboxylic acid ethyl ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S2/c1-4-26-19(25)18-13(3)21-20(28-18)23-16(24)9-10-27-17-11-12(2)14-7-5-6-8-15(14)22-17/h5-8,11H,4,9-10H2,1-3H3,(H,21,23,24)