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

Systemtic Name: ethyl 5-[(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2R)-2-[(1-ethyl-2-benzimidazolyl)thio]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2R)-2-[(1-ethylbenzimidazol-2-yl)thio]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SC(C)C(=O)C3=C(C(=C(N3)C)C(=O)OCC)C

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1S[C@H](C)C(=O)C3=C(C(=C(N3)C)C(=O)OCC)C

InChI

InChI=1S/C21H25N3O3S/c1-6-24-16-11-9-8-10-15(16)23-21(24)28-14(5)19(25)18-12(3)17(13(4)22-18)20(26)27-7-2/h8-11,14,22H,6-7H2,1-5H3/t14-/m1/s1