2-[3-(4-chlorophenyl)-4-(4-methylpyrimidin-2-yl)sulfanyl-2H-1,3-oxazol-5-yl]propanoic acid

Systemtic Name: 2-[3-(4-chlorophenyl)-4-(4-methylpyrimidin-2-yl)sulfanyl-2H-1,3-oxazol-5-yl]propanoic acid Openeye Name: 2-[3-(4-chlorophenyl)-4-(4-methylpyrimidin-2-yl)sulfanyl-2H-oxazol-5-yl]propanoic acid CAS Name: 2-[3-(4-chlorophenyl)-4-[(4-methyl-2-pyrimidinyl)thio]-2H-oxazol-5-yl]propanoic acid IUPAC Name: 2-[3-(4-chlorophenyl)-4-(4-methylpyrimidin-2-yl)sulfanyl-2H-1,3-oxazol-5-yl]propanoic acid Traditional Name: 2-[3-(4-chlorophenyl)-4-[(4-methylpyrimidin-2-yl)thio]-4-oxazolin-5-yl]propionic acid Formula: C17H16ClN3O3S MolecularWeight: 377.84524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SC2=C(OCN2C3=CC=C(C=C3)Cl)C(C)C(=O)O

Isomeric SMILES

CC1=NC(=NC=C1)SC2=C(OCN2C3=CC=C(C=C3)Cl)C(C)C(=O)O

InChI

InChI=1S/C17H16ClN3O3S/c1-10-7-8-19-17(20-10)25-15-14(11(2)16(22)23)24-9-21(15)13-5-3-12(18)4-6-13/h3-8,11H,9H2,1-2H3,(H,22,23)