[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-methylsulfonylbenzoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-methylsulfonylbenzoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C19H15N3O5S MolecularWeight: 397.4045

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N

InChI

InChI=1S/C19H15N3O5S/c1-28(25,26)17-9-5-2-6-12(17)19(24)27-11-16(23)13(10-20)18-21-14-7-3-4-8-15(14)22-18/h2-9,21-22H,11H2,1H3