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

Systemtic Name: ethyl 4-[4-bromanyl-2-(methylsulfanylmethyl)phenyl]carbonyl-5-cyclopropyl-1,2-oxazole-3-carboxylate Openeye Name: ethyl 4-[4-bromo-2-(methylsulfanylmethyl)benzoyl]-5-cyclopropyl-isoxazole-3-carboxylate CAS Name: 4-[[4-bromo-2-[(methylthio)methyl]phenyl]-oxomethyl]-5-cyclopropyl-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-bromo-2-(methylsulfanylmethyl)benzoyl]-5-cyclopropyl-1,2-oxazole-3-carboxylate Traditional Name: 4-[4-bromo-2-[(methylthio)methyl]benzoyl]-5-cyclopropyl-isoxazole-3-carboxylic acid ethyl ester Formula: C18H18BrNO4S MolecularWeight: 424.30882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1C(=O)C2=C(C=C(C=C2)Br)CSC)C3CC3

Isomeric SMILES

CCOC(=O)C1=NOC(=C1C(=O)C2=C(C=C(C=C2)Br)CSC)C3CC3

InChI

InChI=1S/C18H18BrNO4S/c1-3-23-18(22)15-14(17(24-20-15)10-4-5-10)16(21)13-7-6-12(19)8-11(13)9-25-2/h6-8,10H,3-5,9H2,1-2H3