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

Systemtic Name: ethyl 4-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]butanoate CAS Name: 4-[[1-oxo-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoate Traditional Name: 4-[[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]butyric acid ethyl ester Formula: C14H18N4O3S2 MolecularWeight: 354.44772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NNC(=N1)C2=CC=CS2

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NNC(=N1)C2=CC=CS2

InChI

InChI=1S/C14H18N4O3S2/c1-2-21-12(20)6-3-7-15-11(19)9-23-14-16-13(17-18-14)10-5-4-8-22-10/h4-5,8H,2-3,6-7,9H2,1H3,(H,15,19)(H,16,17,18)