ethyl 4,5-dimethyl-2-[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[(4-amyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H26N4O3S2 MolecularWeight: 410.55404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC

Isomeric SMILES

CCCCCN1C=NN=C1SCC(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC

InChI

InChI=1S/C18H26N4O3S2/c1-5-7-8-9-22-11-19-21-18(22)26-10-14(23)20-16-15(17(24)25-6-2)12(3)13(4)27-16/h11H,5-10H2,1-4H3,(H,20,23)