ethyl 2,5-dimethyl-4-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-(1-allylbenzimidazol-2-yl)sulfanylacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[1-oxo-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[(1-allylbenzimidazol-2-yl)thio]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC3=CC=CC=C3N2CC=C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC3=CC=CC=C3N2CC=C)C)C

InChI

InChI=1S/C21H23N3O3S/c1-5-11-24-16-10-8-7-9-15(16)23-21(24)28-12-17(25)18-13(3)22-14(4)19(18)20(26)27-6-2/h5,7-10,22H,1,6,11-12H2,2-4H3