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

Systemtic Name: ethyl 4-methyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]propyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[2-[(6-phenylpyrimidin-4-yl)thio]propanoylamino]thiazole-5-carboxylic acid ethyl ester Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)C(C)SC2=NC=NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)C(C)SC2=NC=NC(=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H20N4O3S2/c1-4-27-19(26)17-12(2)23-20(29-17)24-18(25)13(3)28-16-10-15(21-11-22-16)14-8-6-5-7-9-14/h5-11,13H,4H2,1-3H3,(H,23,24,25)