ethyl 2-[2-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoylamino]thiazol-4-yl]acetate CAS Name: 2-[2-[[2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-1-oxopropyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]propanoylamino]thiazol-4-yl]acetic acid ethyl ester Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=O)C(C)SC2=NC(=NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)C(C)SC2=NC(=NC(=C2)C3=CC=CC=C3)C

InChI

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