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

Systemtic Name: ethyl 4-methyl-2-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-1-oxopropyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]propanoylamino]thiazole-5-carboxylic acid ethyl ester Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)C(C)SC2=NC(=NC(=C2)C3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)C(C)SC2=NC(=NC(=C2)C3=CC=CC=C3)C)C

InChI

InChI=1S/C21H22N4O3S2/c1-5-28-20(27)18-12(2)22-21(30-18)25-19(26)13(3)29-17-11-16(23-14(4)24-17)15-9-7-6-8-10-15/h6-11,13H,5H2,1-4H3,(H,22,25,26)