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

Systemtic Name: diethyl 3-methyl-5-[2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-[(5-isopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)thio]ethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[(5-isopropyl-4-propyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H30N4O5S2 MolecularWeight: 482.6167

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)C(C)C

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)C(C)C

InChI

InChI=1S/C21H30N4O5S2/c1-7-10-25-17(12(4)5)23-24-21(25)31-11-14(26)22-18-15(19(27)29-8-2)13(6)16(32-18)20(28)30-9-3/h12H,7-11H2,1-6H3,(H,22,26)