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

Systemtic Name: (phenylmethyl) 4-methyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C25H22N4O3S2 MolecularWeight: 490.59718

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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)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C(C)SC2=NC=NC(=C2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H22N4O3S2/c1-16-22(24(31)32-14-18-9-5-3-6-10-18)34-25(28-16)29-23(30)17(2)33-21-13-20(26-15-27-21)19-11-7-4-8-12-19/h3-13,15,17H,14H2,1-2H3,(H,28,29,30)