[2-(methylsulfanylmethyl)phenyl]carbonyl 4-bromanyl-5-cyclopropyl-1,2-oxazole-3-carboxylate

Systemtic Name: [2-(methylsulfanylmethyl)phenyl]carbonyl 4-bromanyl-5-cyclopropyl-1,2-oxazole-3-carboxylate Openeye Name: [2-(methylsulfanylmethyl)benzoyl] 4-bromo-5-cyclopropyl-isoxazole-3-carboxylate CAS Name: 4-bromo-5-cyclopropyl-3-isoxazolecarboxylic acid [[2-[(methylthio)methyl]phenyl]-oxomethyl] ester IUPAC Name: [2-(methylsulfanylmethyl)benzoyl] 4-bromo-5-cyclopropyl-1,2-oxazole-3-carboxylate Traditional Name: 4-bromo-5-cyclopropyl-isoxazole-3-carboxylic acid [2-[(methylthio)methyl]benzoyl] ester Formula: C16H14BrNO4S MolecularWeight: 396.25566

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC=C1C(=O)OC(=O)C2=NOC(=C2Br)C3CC3

Isomeric SMILES

CSCC1=CC=CC=C1C(=O)OC(=O)C2=NOC(=C2Br)C3CC3

InChI

InChI=1S/C16H14BrNO4S/c1-23-8-10-4-2-3-5-11(10)15(19)21-16(20)13-12(17)14(22-18-13)9-6-7-9/h2-5,9H,6-8H2,1H3