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

Systemtic Name: methyl 2,4-dimethyl-5-[2-(phenylmethylsulfanyl)ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 5-(2-benzylsulfanylacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(benzylthio)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSCC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSCC2=CC=CC=C2

InChI

InChI=1S/C17H19NO3S/c1-11-15(17(20)21-3)12(2)18-16(11)14(19)10-22-9-13-7-5-4-6-8-13/h4-8,18H,9-10H2,1-3H3