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

Systemtic Name: ethyl 5-[[3-azanyl-5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1,2,4-triazol-4-yl]methyl]furan-2-carboxylate Openeye Name: ethyl 5-[[3-amino-5-(2-methoxy-2-oxo-ethyl)sulfanyl-1,2,4-triazol-4-yl]methyl]furan-2-carboxylate CAS Name: 5-[[3-amino-5-[(2-methoxy-2-oxoethyl)thio]-1,2,4-triazol-4-yl]methyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3-amino-5-(2-methoxy-2-oxoethyl)sulfanyl-1,2,4-triazol-4-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[3-amino-5-[(2-keto-2-methoxy-ethyl)thio]-1,2,4-triazol-4-yl]methyl]furan-2-carboxylic acid ethyl ester Formula: C13H16N4O5S MolecularWeight: 340.35494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)CN2C(=NN=C2SCC(=O)OC)N

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)CN2C(=NN=C2SCC(=O)OC)N

InChI

InChI=1S/C13H16N4O5S/c1-3-21-11(19)9-5-4-8(22-9)6-17-12(14)15-16-13(17)23-7-10(18)20-2/h4-5H,3,6-7H2,1-2H3,(H2,14,15)