methyl 4-[3-(2-azanylethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethyl-butanoate

Systemtic Name: methyl 4-[3-(2-azanylethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethyl-butanoate Openeye Name: methyl 4-[3-(2-aminoethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethyl-butanoate CAS Name: 4-[3-[(2-aminoethylthio)methyl]-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanoic acid methyl ester IUPAC Name: methyl 4-[3-(2-aminoethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanoate Traditional Name: 4-[3-[(2-aminoethylthio)methyl]-1,2,4-oxadiazol-5-yl]-3,3-dimethyl-butyric acid methyl ester Formula: C12H21N3O3S MolecularWeight: 287.37844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=NC(=NO1)CSCCN)CC(=O)OC

Isomeric SMILES

CC(C)(CC1=NC(=NO1)CSCCN)CC(=O)OC

InChI

InChI=1S/C12H21N3O3S/c1-12(2,7-11(16)17-3)6-10-14-9(15-18-10)8-19-5-4-13/h4-8,13H2,1-3H3