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

Systemtic Name: ethyl 2,4-dimethyl-5-[(2S)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-(1-allylbenzimidazol-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-1-oxo-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]propyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[(2S)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-[(1-allylbenzimidazol-2-yl)thio]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=NC3=CC=CC=C3N2CC=C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)SC2=NC3=CC=CC=C3N2CC=C)C

InChI

InChI=1S/C22H25N3O3S/c1-6-12-25-17-11-9-8-10-16(17)24-22(25)29-15(5)20(26)19-13(3)18(14(4)23-19)21(27)28-7-2/h6,8-11,15,23H,1,7,12H2,2-5H3/t15-/m0/s1