[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H17N5O3S2 MolecularWeight: 391.46788

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC(=O)C(C#N)C(=N)C)C2=CC=CS2

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC(=O)[C@@H](C#N)C(=N)C)C2=CC=CS2

InChI

InChI=1S/C16H17N5O3S2/c1-3-21-15(13-5-4-6-25-13)19-20-16(21)26-9-14(23)24-8-12(22)11(7-17)10(2)18/h4-6,11,18H,3,8-9H2,1-2H3/t11-/m0/s1