2-[3-(3-chloranyl-4-methoxy-phenyl)-4-(4-methylsulfonylphenyl)-1,2-oxazol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(3-chloranyl-4-methoxy-phenyl)-4-(4-methylsulfonylphenyl)-1,2-oxazol-5-yl]ethanoic acid Openeye Name: 2-[3-(3-chloro-4-methoxy-phenyl)-4-(4-methylsulfonylphenyl)isoxazol-5-yl]acetic acid CAS Name: 2-[3-(3-chloro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-5-isoxazolyl]acetic acid IUPAC Name: 2-[3-(3-chloro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,2-oxazol-5-yl]acetic acid Traditional Name: 2-[3-(3-chloro-4-methoxy-phenyl)-4-(4-mesylphenyl)isoxazol-5-yl]acetic acid Formula: C19H16ClNO6S MolecularWeight: 421.85144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=C2C3=CC=C(C=C3)S(=O)(=O)C)CC(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=C2C3=CC=C(C=C3)S(=O)(=O)C)CC(=O)O)Cl

InChI

InChI=1S/C19H16ClNO6S/c1-26-15-8-5-12(9-14(15)20)19-18(16(27-21-19)10-17(22)23)11-3-6-13(7-4-11)28(2,24)25/h3-9H,10H2,1-2H3,(H,22,23)