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

Systemtic Name: (phenylmethyl) 4-methyl-2-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: benzyl 4-methyl-2-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylbutanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-1-oxobutyl]amino]-5-thiazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methyl-2-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]butanoylamino]thiazole-5-carboxylic acid benzyl ester Formula: C27H26N4O3S2 MolecularWeight: 518.65034

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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)C4=CC=CC=C4)C

Isomeric SMILES

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC2=CC=CC=C2)C)SC3=NC(=NC(=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H26N4O3S2/c1-4-22(35-23-15-21(29-18(3)30-23)20-13-9-6-10-14-20)25(32)31-27-28-17(2)24(36-27)26(33)34-16-19-11-7-5-8-12-19/h5-15,22H,4,16H2,1-3H3,(H,28,31,32)