diethyl 3-methyl-5-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H24N4O5S2 MolecularWeight: 440.53696

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C18H24N4O5S2/c1-5-8-11-19-18(22-21-11)28-9-12(23)20-15-13(16(24)26-6-2)10(4)14(29-15)17(25)27-7-3/h5-9H2,1-4H3,(H,20,23)(H,19,21,22)