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

Systemtic Name: 3-[4-(4-methoxyphenyl)-2-[(2-methylsulfanylpyrimidin-5-yl)amino]-1,3-thiazol-5-yl]propanoic acid Openeye Name: 3-[4-(4-methoxyphenyl)-2-[(2-methylsulfanylpyrimidin-5-yl)amino]thiazol-5-yl]propanoic acid CAS Name: 3-[4-(4-methoxyphenyl)-2-[[2-(methylthio)-5-pyrimidinyl]amino]-5-thiazolyl]propanoic acid IUPAC Name: 3-[4-(4-methoxyphenyl)-2-[(2-methylsulfanylpyrimidin-5-yl)amino]-1,3-thiazol-5-yl]propanoic acid Traditional Name: 3-[4-(4-methoxyphenyl)-2-[[2-(methylthio)pyrimidin-5-yl]amino]thiazol-5-yl]propionic acid Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3S2/c1-25-13-5-3-11(4-6-13)16-14(7-8-15(23)24)27-18(22-16)21-12-9-19-17(26-2)20-10-12/h3-6,9-10H,7-8H2,1-2H3,(H,21,22)(H,23,24)