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

Systemtic Name: prop-2-enyl 4-methyl-2-[3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: allyl 4-methyl-2-[3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[3-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-1-oxopropyl]amino]-5-thiazolecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-methyl-2-[3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[3-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]propanoylamino]thiazole-5-carboxylic acid allyl ester Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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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)C(=O)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3S2/c1-4-11-29-21(28)20-14(2)23-22(31-20)26-18(27)10-12-30-19-13-17(24-15(3)25-19)16-8-6-5-7-9-16/h4-9,13H,1,10-12H2,2-3H3,(H,23,26,27)