methyl 4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanoate Openeye Name: methyl 4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanoate CAS Name: 4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanoate Traditional Name: 4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyric acid methyl ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NN=C(O3)C4CCCCC4

Isomeric SMILES

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NN=C(O3)C4CCCCC4

InChI

InChI=1S/C20H22N4O4S/c1-27-19(26)16(17-21-13-9-5-6-10-14(13)22-17)15(25)11-29-20-24-23-18(28-20)12-7-3-2-4-8-12/h5-6,9-10,12,21-22H,2-4,7-8,11H2,1H3