[2-(methylsulfanylmethyl)phenyl]carbonyl 3-bromanyl-5-cyclopropyl-2H-1,2-oxazole-3-carboxylate

Systemtic Name: [2-(methylsulfanylmethyl)phenyl]carbonyl 3-bromanyl-5-cyclopropyl-2H-1,2-oxazole-3-carboxylate Openeye Name: [2-(methylsulfanylmethyl)benzoyl] 3-bromo-5-cyclopropyl-2H-isoxazole-3-carboxylate CAS Name: 3-bromo-5-cyclopropyl-2H-isoxazole-3-carboxylic acid [[2-[(methylthio)methyl]phenyl]-oxomethyl] ester IUPAC Name: [2-(methylsulfanylmethyl)benzoyl] 3-bromo-5-cyclopropyl-2H-1,2-oxazole-3-carboxylate Traditional Name: 3-bromo-5-cyclopropyl-4-isoxazoline-3-carboxylic acid [2-[(methylthio)methyl]benzoyl] ester Formula: C16H16BrNO4S MolecularWeight: 398.27154

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC=C1C(=O)OC(=O)C2(C=C(ON2)C3CC3)Br

Isomeric SMILES

CSCC1=CC=CC=C1C(=O)OC(=O)C2(C=C(ON2)C3CC3)Br

InChI

InChI=1S/C16H16BrNO4S/c1-23-9-11-4-2-3-5-12(11)14(19)21-15(20)16(17)8-13(22-18-16)10-6-7-10/h2-5,8,10,18H,6-7,9H2,1H3