dimethyl 5-azanyl-3-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(4-ethyl-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(4-ethyl-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C13H16N4O4S2 MolecularWeight: 356.42054

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN=C1SCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

Isomeric SMILES

CCN1C=NN=C1SCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

InChI

InChI=1S/C13H16N4O4S2/c1-4-17-6-15-16-13(17)22-5-7-8(11(18)20-2)10(14)23-9(7)12(19)21-3/h6H,4-5,14H2,1-3H3