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

Systemtic Name: ethyl 2,4-dimethyl-5-[2-(phenylmethylsulfanyl)ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-(2-benzylsulfanylacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-(phenylmethylthio)ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-benzylsulfanylacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(benzylthio)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSCC2=CC=CC=C2)C

InChI

InChI=1S/C18H21NO3S/c1-4-22-18(21)16-12(2)17(19-13(16)3)15(20)11-23-10-14-8-6-5-7-9-14/h5-9,19H,4,10-11H2,1-3H3