[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(cyclopropylamino)-2-oxoethyl]thio]benzoic 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-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]benzoic acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)C3=CC=CC=C3SCC(=O)NC4CC4)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)C3=CC=CC=C3SCC(=O)NC4CC4)C

InChI

InChI=1S/C25H24N4O4S/c1-28-19-8-4-5-9-20(19)29(2)24(28)18(13-26)21(30)14-33-25(32)17-7-3-6-10-22(17)34-15-23(31)27-16-11-12-16/h3-10,16H,11-12,14-15H2,1-2H3,(H,27,31)