ethyl 2,4-dimethyl-5-[(2S)-2-[(2-methylphenyl)methylsulfanyl]propanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[(2S)-2-[(2-methylphenyl)methylsulfanyl]propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[(2S)-2-(o-tolylmethylsulfanyl)propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-2-[(2-methylphenyl)methylthio]-1-oxopropyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[(2S)-2-[(2-methylphenyl)methylsulfanyl]propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2S)-2-[(2-methylbenzyl)thio]propanoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SCC2=CC=CC=C2C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)SCC2=CC=CC=C2C)C

InChI

InChI=1S/C20H25NO3S/c1-6-24-20(23)17-13(3)18(21-14(17)4)19(22)15(5)25-11-16-10-8-7-9-12(16)2/h7-10,15,21H,6,11H2,1-5H3/t15-/m0/s1