methyl 2-[3-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1,2,4-triazol-4-yl]ethanoate

Systemtic Name: methyl 2-[3-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1,2,4-triazol-4-yl]ethanoate Openeye Name: methyl 2-[3-(2-methoxy-2-oxo-ethyl)sulfanyl-1,2,4-triazol-4-yl]acetate CAS Name: 2-[3-[(2-methoxy-2-oxoethyl)thio]-1,2,4-triazol-4-yl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(2-methoxy-2-oxoethyl)sulfanyl-1,2,4-triazol-4-yl]acetate Traditional Name: 2-[3-[(2-keto-2-methoxy-ethyl)thio]-1,2,4-triazol-4-yl]acetic acid methyl ester Formula: C8H11N3O4S MolecularWeight: 245.25564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C=NN=C1SCC(=O)OC

Isomeric SMILES

COC(=O)CN1C=NN=C1SCC(=O)OC

InChI

InChI=1S/C8H11N3O4S/c1-14-6(12)3-11-5-9-10-8(11)16-4-7(13)15-2/h5H,3-4H2,1-2H3