[2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 4-ethyl-1,2,3-thiadiazole-5-carboxylate

Systemtic Name: [2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 4-ethyl-1,2,3-thiadiazole-5-carboxylate Openeye Name: [2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 4-ethylthiadiazole-5-carboxylate CAS Name: 4-ethyl-5-thiadiazolecarboxylic acid [2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-2-pyrrolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate Traditional Name: 4-ethylthiadiazole-5-carboxylic acid [2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SN=N1)C(=O)OCC(=O)NC2=C(C(=C(N2C3CCCCC3)C)C)C#N

Isomeric SMILES

CCC1=C(SN=N1)C(=O)OCC(=O)NC2=C(C(=C(N2C3CCCCC3)C)C)C#N

InChI

InChI=1S/C20H25N5O3S/c1-4-16-18(29-24-23-16)20(27)28-11-17(26)22-19-15(10-21)12(2)13(3)25(19)14-8-6-5-7-9-14/h14H,4-9,11H2,1-3H3,(H,22,26)