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

Systemtic Name: ethyl 4-[2-(1-ethylbenzimidazol-2-yl)sulfanylethanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[(1-ethyl-2-benzimidazolyl)thio]-1-oxoethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[(1-ethylbenzimidazol-2-yl)thio]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC(=O)C3=C(NC(=C3C)C(=O)OCC)C

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC(=O)C3=C(NC(=C3C)C(=O)OCC)C

InChI

InChI=1S/C20H23N3O3S/c1-5-23-15-10-8-7-9-14(15)22-20(23)27-11-16(24)17-12(3)18(21-13(17)4)19(25)26-6-2/h7-10,21H,5-6,11H2,1-4H3