methyl 2-chloranyl-4-methylsulfonyl-3-[5-(phenylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzoate

Systemtic Name: methyl 2-chloranyl-4-methylsulfonyl-3-[5-(phenylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzoate Openeye Name: methyl 3-(5-benzyl-4,5-dihydroisoxazol-3-yl)-2-chloro-4-methylsulfonyl-benzoate CAS Name: 2-chloro-4-methylsulfonyl-3-[5-(phenylmethyl)-4,5-dihydroisoxazol-3-yl]benzoic acid methyl ester IUPAC Name: methyl 3-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)-2-chloro-4-methylsulfonylbenzoate Traditional Name: 3-(5-benzyl-2-isoxazolin-3-yl)-2-chloro-4-mesyl-benzoic acid methyl ester Formula: C19H18ClNO5S MolecularWeight: 407.86792

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C=C1)S(=O)(=O)C)C2=NOC(C2)CC3=CC=CC=C3)Cl

Isomeric SMILES

COC(=O)C1=C(C(=C(C=C1)S(=O)(=O)C)C2=NOC(C2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C19H18ClNO5S/c1-25-19(22)14-8-9-16(27(2,23)24)17(18(14)20)15-11-13(26-21-15)10-12-6-4-3-5-7-12/h3-9,13H,10-11H2,1-2H3