1-chloranylpropan-2-yl 5-cyclopropyl-4-(4-methylsulfonylphenyl)carbonyl-1,2-oxazole-3-carboxylate

Systemtic Name: 1-chloranylpropan-2-yl 5-cyclopropyl-4-(4-methylsulfonylphenyl)carbonyl-1,2-oxazole-3-carboxylate Openeye Name: (2-chloro-1-methyl-ethyl) 5-cyclopropyl-4-(4-methylsulfonylbenzoyl)isoxazole-3-carboxylate CAS Name: 5-cyclopropyl-4-[(4-methylsulfonylphenyl)-oxomethyl]-3-isoxazolecarboxylic acid 1-chloropropan-2-yl ester IUPAC Name: 1-chloropropan-2-yl 5-cyclopropyl-4-(4-methylsulfonylbenzoyl)-1,2-oxazole-3-carboxylate Traditional Name: 5-cyclopropyl-4-(4-mesylbenzoyl)isoxazole-3-carboxylic acid (2-chloro-1-methyl-ethyl) ester Formula: C18H18ClNO6S MolecularWeight: 411.85662

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCl)OC(=O)C1=NOC(=C1C(=O)C2=CC=C(C=C2)S(=O)(=O)C)C3CC3

Isomeric SMILES

CC(CCl)OC(=O)C1=NOC(=C1C(=O)C2=CC=C(C=C2)S(=O)(=O)C)C3CC3

InChI

InChI=1S/C18H18ClNO6S/c1-10(9-19)25-18(22)15-14(17(26-20-15)12-3-4-12)16(21)11-5-7-13(8-6-11)27(2,23)24/h5-8,10,12H,3-4,9H2,1-2H3