methyl 6-chloranyl-3-[(5-cyclopropyl-1,2-oxazol-3-yl)carbonyl]-2-methylsulfonyl-benzoate

Systemtic Name: methyl 6-chloranyl-3-[(5-cyclopropyl-1,2-oxazol-3-yl)carbonyl]-2-methylsulfonyl-benzoate Openeye Name: methyl 6-chloro-3-(5-cyclopropylisoxazole-3-carbonyl)-2-methylsulfonyl-benzoate CAS Name: 6-chloro-3-[(5-cyclopropyl-3-isoxazolyl)-oxomethyl]-2-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 6-chloro-3-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-methylsulfonylbenzoate Traditional Name: 6-chloro-3-(5-cyclopropylisoxazole-3-carbonyl)-2-mesyl-benzoic acid methyl ester Formula: C16H14ClNO6S MolecularWeight: 383.80346

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1S(=O)(=O)C)C(=O)C2=NOC(=C2)C3CC3)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1S(=O)(=O)C)C(=O)C2=NOC(=C2)C3CC3)Cl

InChI

InChI=1S/C16H14ClNO6S/c1-23-16(20)13-10(17)6-5-9(15(13)25(2,21)22)14(19)11-7-12(24-18-11)8-3-4-8/h5-8H,3-4H2,1-2H3