ethyl 1-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)sulfonyl]pyrrole-2-carboxylate

Systemtic Name: ethyl 1-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)sulfonyl]pyrrole-2-carboxylate Openeye Name: ethyl 1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]pyrrole-2-carboxylate CAS Name: 1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]pyrrole-2-carboxylate Traditional Name: 1-[(2-keto-1,3-dihydrobenzimidazol-5-yl)sulfonyl]pyrrole-2-carboxylic acid ethyl ester Formula: C14H13N3O5S MolecularWeight: 335.33512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CN1S(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3

Isomeric SMILES

CCOC(=O)C1=CC=CN1S(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3

InChI

InChI=1S/C14H13N3O5S/c1-2-22-13(18)12-4-3-7-17(12)23(20,21)9-5-6-10-11(8-9)16-14(19)15-10/h3-8H,2H2,1H3,(H2,15,16,19)