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

Systemtic Name: ethyl 2,4-dimethyl-5-[(2S)-2-(phenylmethylsulfanyl)propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-benzylsulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-1-oxo-2-(phenylmethylthio)propyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-benzylsulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-(benzylthio)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H23NO3S MolecularWeight: 345.45582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)SCC2=CC=CC=C2)C

InChI

InChI=1S/C19H23NO3S/c1-5-23-19(22)16-12(2)17(20-13(16)3)18(21)14(4)24-11-15-9-7-6-8-10-15/h6-10,14,20H,5,11H2,1-4H3/t14-/m0/s1