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

Systemtic Name: ethyl 2,4-dimethyl-5-[2-(1-phenylbenzimidazol-2-yl)sulfanylethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-(1-phenylbenzimidazol-2-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[(1-phenyl-2-benzimidazolyl)thio]ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-(1-phenylbenzimidazol-2-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[(1-phenylbenzimidazol-2-yl)thio]acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4)C

InChI

InChI=1S/C24H23N3O3S/c1-4-30-23(29)21-15(2)22(25-16(21)3)20(28)14-31-24-26-18-12-8-9-13-19(18)27(24)17-10-6-5-7-11-17/h5-13,25H,4,14H2,1-3H3