methyl 6-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanoylamino]hexanoate

Systemtic Name: methyl 6-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanoylamino]hexanoate Openeye Name: methyl 6-[[2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]hexanoate CAS Name: 6-[[1-oxo-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetyl]amino]hexanoate Traditional Name: 6-[[2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]hexanoic acid methyl ester Formula: C15H20N4O3S2 MolecularWeight: 368.4743

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)CN1C(=NNC1=S)C2=CC=CS2

Isomeric SMILES

COC(=O)CCCCCNC(=O)CN1C(=NNC1=S)C2=CC=CS2

InChI

InChI=1S/C15H20N4O3S2/c1-22-13(21)7-3-2-4-8-16-12(20)10-19-14(17-18-15(19)23)11-6-5-9-24-11/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,20)(H,18,23)