methyl 2-[[3-(5-chloranylthiophen-2-yl)-1,2-oxazol-5-yl]methoxy]-2-methyl-propanoate

Systemtic Name: methyl 2-[[3-(5-chloranylthiophen-2-yl)-1,2-oxazol-5-yl]methoxy]-2-methyl-propanoate Openeye Name: methyl 2-[[3-(5-chloro-2-thienyl)isoxazol-5-yl]methoxy]-2-methyl-propanoate CAS Name: 2-[[3-(5-chloro-2-thiophenyl)-5-isoxazolyl]methoxy]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[[3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-yl]methoxy]-2-methylpropanoate Traditional Name: 2-[[3-(5-chloro-2-thienyl)isoxazol-5-yl]methoxy]-2-methyl-propionic acid methyl ester Formula: C13H14ClNO4S MolecularWeight: 315.77256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)OCC1=CC(=NO1)C2=CC=C(S2)Cl

Isomeric SMILES

CC(C)(C(=O)OC)OCC1=CC(=NO1)C2=CC=C(S2)Cl

InChI

InChI=1S/C13H14ClNO4S/c1-13(2,12(16)17-3)18-7-8-6-9(15-19-8)10-4-5-11(14)20-10/h4-6H,7H2,1-3H3