methyl 3-[4-(4-methoxyphenyl)-2-[(2-methylsulfanylpyrimidin-5-yl)amino]-1,3-thiazol-5-yl]propanoate

Systemtic Name: methyl 3-[4-(4-methoxyphenyl)-2-[(2-methylsulfanylpyrimidin-5-yl)amino]-1,3-thiazol-5-yl]propanoate Openeye Name: methyl 3-[4-(4-methoxyphenyl)-2-[(2-methylsulfanylpyrimidin-5-yl)amino]thiazol-5-yl]propanoate CAS Name: 3-[4-(4-methoxyphenyl)-2-[[2-(methylthio)-5-pyrimidinyl]amino]-5-thiazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(4-methoxyphenyl)-2-[(2-methylsulfanylpyrimidin-5-yl)amino]-1,3-thiazol-5-yl]propanoate Traditional Name: 3-[4-(4-methoxyphenyl)-2-[[2-(methylthio)pyrimidin-5-yl]amino]thiazol-5-yl]propionic acid methyl ester Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(SC(=N2)NC3=CN=C(N=C3)SC)CCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(SC(=N2)NC3=CN=C(N=C3)SC)CCC(=O)OC

InChI

InChI=1S/C19H20N4O3S2/c1-25-14-6-4-12(5-7-14)17-15(8-9-16(24)26-2)28-19(23-17)22-13-10-20-18(27-3)21-11-13/h4-7,10-11H,8-9H2,1-3H3,(H,22,23)