3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2,5-dimethyl-1-(2-thienylmethyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxylic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(2-thenyl)pyrrole-3-carboxylic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)OCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)OCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C22H23N3O3S/c1-15-13-18(16(2)25(15)14-17-7-5-12-29-17)21(26)28-11-6-10-24-20-9-4-3-8-19(20)23-22(24)27/h3-5,7-9,12-13H,6,10-11,14H2,1-2H3,(H,23,27)