methyl 2-[4-oxidanylidene-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methylthio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C14H12N4O4S2 MolecularWeight: 364.39948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC2=NC(=NO2)C3=CSC=C3

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC2=NC(=NO2)C3=CSC=C3

InChI

InChI=1S/C14H12N4O4S2/c1-21-12(20)5-9-4-10(19)16-14(15-9)24-7-11-17-13(18-22-11)8-2-3-23-6-8/h2-4,6H,5,7H2,1H3,(H,15,16,19)