[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]propanoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-(p-phenetylsulfonylamino)propionic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C22H22N4O6S MolecularWeight: 470.49828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N

InChI

InChI=1S/C22H22N4O6S/c1-2-31-15-7-9-16(10-8-15)33(29,30)24-12-11-21(28)32-14-20(27)17(13-23)22-25-18-5-3-4-6-19(18)26-22/h3-10,24-26H,2,11-12,14H2,1H3