ethyl 4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]butanoate CAS Name: 4-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoate Traditional Name: 4-[[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]butyric acid ethyl ester Formula: C16H22N4O3S2 MolecularWeight: 382.50088

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NCCCC(=O)OCC)C2=CC=CS2

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NCCCC(=O)OCC)C2=CC=CS2

InChI

InChI=1S/C16H22N4O3S2/c1-3-20-15(12-7-6-10-24-12)18-19-16(20)25-11-13(21)17-9-5-8-14(22)23-4-2/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,17,21)