(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H21N5O3S2 MolecularWeight: 395.49964

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CSC1=NN=C(S1)NC2CCCCC2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CSC1=NN=C(S1)NC2CCCCC2

InChI

InChI=1S/C16H21N5O3S2/c1-10(18)12(7-17)13(22)8-24-14(23)9-25-16-21-20-15(26-16)19-11-5-3-2-4-6-11/h11-12,18H,2-6,8-9H2,1H3,(H,19,20)