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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1CC2=CC=C(O2)C(=O)OC)N

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1CC2=CC=C(O2)C(=O)OC)N

InChI

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