[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C23H22N4O6S MolecularWeight: 482.50898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H22N4O6S/c1-32-20-9-8-15(12-21(20)34(30,31)27-10-4-5-11-27)23(29)33-14-19(28)16(13-24)22-25-17-6-2-3-7-18(17)26-22/h2-3,6-9,12,25-26H,4-5,10-11,14H2,1H3