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

Systemtic Name: ethyl 4-[3-bromanyl-2-(methylsulfanylmethyl)phenyl]carbonyl-5-cyclopropyl-1,2-oxazole-3-carboxylate Openeye Name: ethyl 4-[3-bromo-2-(methylsulfanylmethyl)benzoyl]-5-cyclopropyl-isoxazole-3-carboxylate CAS Name: 4-[[3-bromo-2-[(methylthio)methyl]phenyl]-oxomethyl]-5-cyclopropyl-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-bromo-2-(methylsulfanylmethyl)benzoyl]-5-cyclopropyl-1,2-oxazole-3-carboxylate Traditional Name: 4-[3-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(=CC=C2)Br)CSC)C3CC3

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO4S/c1-3-23-18(22)15-14(17(24-20-15)10-7-8-10)16(21)11-5-4-6-13(19)12(11)9-25-2/h4-6,10H,3,7-9H2,1-2H3