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

Systemtic Name: (phenylmethyl) 4-methyl-2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: benzyl 4-methyl-2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[3-[(6-methyl-4-pyrimidinyl)thio]-1-oxopropyl]amino]-5-thiazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methyl-2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[3-[(6-methylpyrimidin-4-yl)thio]propanoylamino]thiazole-5-carboxylic acid benzyl ester Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)SCCC(=O)NC2=NC(=C(S2)C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC=N1)SCCC(=O)NC2=NC(=C(S2)C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C20H20N4O3S2/c1-13-10-17(22-12-21-13)28-9-8-16(25)24-20-23-14(2)18(29-20)19(26)27-11-15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3,(H,23,24,25)