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

Systemtic Name: 2-methylpropyl 4-methyl-2-[3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C23H26N4O3S2 MolecularWeight: 470.60754

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O3S2/c1-14(2)13-30-22(29)21-15(3)24-23(32-21)27-19(28)10-11-31-20-12-18(25-16(4)26-20)17-8-6-5-7-9-17/h5-9,12,14H,10-11,13H2,1-4H3,(H,24,27,28)