[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[(4-chlorophenyl)sulfonylamino]-4-(methylthio)butanoic acid [3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-chlorophenyl)sulfonylamino]-4-(methylthio)butyric acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C24H25ClN4O5S2 MolecularWeight: 549.0621

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)C(CCSC)NS(=O)(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)C(CCSC)NS(=O)(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C24H25ClN4O5S2/c1-28-20-6-4-5-7-21(20)29(2)23(28)18(14-26)22(30)15-34-24(31)19(12-13-35-3)27-36(32,33)17-10-8-16(25)9-11-17/h4-11,19,27H,12-13,15H2,1-3H3