2-methylpropyl 5-methyl-2-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylethanoylamino]-1,3-thiazole-4-carboxylate

Systemtic Name: 2-methylpropyl 5-methyl-2-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylethanoylamino]-1,3-thiazole-4-carboxylate Openeye Name: isobutyl 5-methyl-2-[[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylacetyl]amino]thiazole-4-carboxylate CAS Name: 5-methyl-2-[[2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-1-oxoethyl]amino]-4-thiazolecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-methyl-2-[[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetyl]amino]-1,3-thiazole-4-carboxylate Traditional Name: 5-methyl-2-[[2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]acetyl]amino]thiazole-4-carboxylic acid isobutyl ester Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)CSC2=NC(=NC(=C2)C3=CC=CC=C3)C)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)CSC2=NC(=NC(=C2)C3=CC=CC=C3)C)C(=O)OCC(C)C

InChI

InChI=1S/C22H24N4O3S2/c1-13(2)11-29-21(28)20-14(3)31-22(26-20)25-18(27)12-30-19-10-17(23-15(4)24-19)16-8-6-5-7-9-16/h5-10,13H,11-12H2,1-4H3,(H,25,26,27)