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

Systemtic Name: methyl 2,4-dimethyl-5-[(2S)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC3=CC=CC=C3N2CC=C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)SC2=NC3=CC=CC=C3N2CC=C

InChI

InChI=1S/C21H23N3O3S/c1-6-11-24-16-10-8-7-9-15(16)23-21(24)28-14(4)19(25)18-12(2)17(13(3)22-18)20(26)27-5/h6-10,14,22H,1,11H2,2-5H3/t14-/m0/s1