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

Systemtic Name: (phenylmethyl) 4-methyl-2-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: benzyl 4-methyl-2-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[2-[(6-methyl-4-pyrimidinyl)thio]-1-oxobutyl]amino]-5-thiazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methyl-2-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[2-[(6-methylpyrimidin-4-yl)thio]butanoylamino]thiazole-5-carboxylic acid benzyl ester Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC2=CC=CC=C2)C)SC3=NC=NC(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC2=CC=CC=C2)C)SC3=NC=NC(=C3)C

InChI

InChI=1S/C21H22N4O3S2/c1-4-16(29-17-10-13(2)22-12-23-17)19(26)25-21-24-14(3)18(30-21)20(27)28-11-15-8-6-5-7-9-15/h5-10,12,16H,4,11H2,1-3H3,(H,24,25,26)