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

Systemtic Name: prop-2-enyl 4-methyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: allyl 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 prop-2-enyl ester IUPAC Name: prop-2-enyl 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 allyl ester Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C(C)SC2=NC=NC(=C2)C3=CC=CC=C3)C(=O)OCC=C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C(C)SC2=NC=NC(=C2)C3=CC=CC=C3)C(=O)OCC=C

InChI

InChI=1S/C21H20N4O3S2/c1-4-10-28-20(27)18-13(2)24-21(30-18)25-19(26)14(3)29-17-11-16(22-12-23-17)15-8-6-5-7-9-15/h4-9,11-12,14H,1,10H2,2-3H3,(H,24,25,26)