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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CCSC2=NC=NC(=C2)C3=CC=CC=C3)C(=O)OCC=C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CCSC2=NC=NC(=C2)C3=CC=CC=C3)C(=O)OCC=C

InChI

InChI=1S/C21H20N4O3S2/c1-3-10-28-20(27)19-14(2)24-21(30-19)25-17(26)9-11-29-18-12-16(22-13-23-18)15-7-5-4-6-8-15/h3-8,12-13H,1,9-11H2,2H3,(H,24,25,26)