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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CCSC2=NC=NC(=C2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CCSC2=NC=NC(=C2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H22N4O3S2/c1-17-23(24(31)32-15-18-8-4-2-5-9-18)34-25(28-17)29-21(30)12-13-33-22-14-20(26-16-27-22)19-10-6-3-7-11-19/h2-11,14,16H,12-13,15H2,1H3,(H,28,29,30)