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

Systemtic Name: ethyl 3,5-dimethyl-4-[2-(1-methylbenzimidazol-2-yl)sulfanylethanoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[2-[(1-methyl-2-benzimidazolyl)thio]-1-oxoethyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[2-[(1-methylbenzimidazol-2-yl)thio]acetyl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NC3=CC=CC=C3N2C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NC3=CC=CC=C3N2C)C

InChI

InChI=1S/C19H21N3O3S/c1-5-25-18(24)17-11(2)16(12(3)20-17)15(23)10-26-19-21-13-8-6-7-9-14(13)22(19)4/h6-9,20H,5,10H2,1-4H3