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

Systemtic Name: ethyl 2-[3-azanyl-5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1,2,4-triazol-4-yl]ethanoate Openeye Name: ethyl 2-[3-amino-5-(2-methoxy-2-oxo-ethyl)sulfanyl-1,2,4-triazol-4-yl]acetate CAS Name: 2-[3-amino-5-[(2-methoxy-2-oxoethyl)thio]-1,2,4-triazol-4-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-amino-5-(2-methoxy-2-oxoethyl)sulfanyl-1,2,4-triazol-4-yl]acetate Traditional Name: 2-[3-amino-5-[(2-keto-2-methoxy-ethyl)thio]-1,2,4-triazol-4-yl]acetic acid ethyl ester Formula: C9H14N4O4S MolecularWeight: 274.29686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14N4O4S/c1-3-17-6(14)4-13-8(10)11-12-9(13)18-5-7(15)16-2/h3-5H2,1-2H3,(H2,10,11)