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

Systemtic Name: ethyl 4-methyl-2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-3-[(6-phenyl-4-pyrimidinyl)thio]propyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[3-[(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)CCSC2=NC=NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CCSC2=NC=NC(=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H20N4O3S2/c1-3-27-19(26)18-13(2)23-20(29-18)24-16(25)9-10-28-17-11-15(21-12-22-17)14-7-5-4-6-8-14/h4-8,11-12H,3,9-10H2,1-2H3,(H,23,24,25)