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

Systemtic Name: ethyl 2-[2-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylbutanoylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylbutanoylamino]thiazol-4-yl]acetate CAS Name: 2-[2-[[2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-1-oxobutyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]butanoylamino]thiazol-4-yl]acetic acid ethyl ester Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=CS1)CC(=O)OCC)SC2=NC(=NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCC(C(=O)NC1=NC(=CS1)CC(=O)OCC)SC2=NC(=NC(=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H24N4O3S2/c1-4-18(21(28)26-22-25-16(13-30-22)11-20(27)29-5-2)31-19-12-17(23-14(3)24-19)15-9-7-6-8-10-15/h6-10,12-13,18H,4-5,11H2,1-3H3,(H,25,26,28)