(5-bromanyl-2-methoxy-phenyl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl 2-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]thio]acetic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]thio]acetic acid (5-bromo-2-methoxy-benzyl) ester Formula: C16H17BrN2O5S MolecularWeight: 429.28558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSCC(=O)OCC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSCC(=O)OCC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C16H17BrN2O5S/c1-10-5-14(19-24-10)18-15(20)8-25-9-16(21)23-7-11-6-12(17)3-4-13(11)22-2/h3-6H,7-9H2,1-2H3,(H,18,19,20)