methyl 5-bromanyl-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 5-bromanyl-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: methyl 5-bromo-2-[[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetyl]amino]benzoate CAS Name: 5-bromo-2-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 5-bromo-2-[[2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetyl]amino]benzoic acid methyl ester Formula: C16H17BrN2O4S MolecularWeight: 413.28618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)NC2=C(C=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)NC2=C(C=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C16H17BrN2O4S/c1-9-13(10(2)23-19-9)7-24-8-15(20)18-14-5-4-11(17)6-12(14)16(21)22-3/h4-6H,7-8H2,1-3H3,(H,18,20)