ethyl 2-[3-azanyl-5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-1,2,4-triazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[3-azanyl-5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-1,2,4-triazol-4-yl]ethanoate Openeye Name: ethyl 2-[3-amino-5-(2-ethoxy-2-oxo-ethyl)sulfanyl-1,2,4-triazol-4-yl]acetate CAS Name: 2-[3-amino-5-[(2-ethoxy-2-oxoethyl)thio]-1,2,4-triazol-4-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-amino-5-(2-ethoxy-2-oxoethyl)sulfanyl-1,2,4-triazol-4-yl]acetate Traditional Name: 2-[3-amino-5-[(2-ethoxy-2-keto-ethyl)thio]-1,2,4-triazol-4-yl]acetic acid ethyl ester Formula: C10H16N4O4S MolecularWeight: 288.32344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=NN=C1SCC(=O)OCC)N

Isomeric SMILES

CCOC(=O)CN1C(=NN=C1SCC(=O)OCC)N

InChI

InChI=1S/C10H16N4O4S/c1-3-17-7(15)5-14-9(11)12-13-10(14)19-6-8(16)18-4-2/h3-6H2,1-2H3,(H2,11,12)