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

Systemtic Name: 4-ethanoyl-3,5-dimethyl-N-[2-(phenylmethylsulfanyl)ethyl]-1H-pyrrole-2-carboxamide Openeye Name: 4-acetyl-N-(2-benzylsulfanylethyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide CAS Name: 4-acetyl-3,5-dimethyl-N-[2-(phenylmethylthio)ethyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-acetyl-N-(2-benzylsulfanylethyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide Traditional Name: 4-acetyl-N-[2-(benzylthio)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C18H22N2O2S/c1-12-16(14(3)21)13(2)20-17(12)18(22)19-9-10-23-11-15-7-5-4-6-8-15/h4-8,20H,9-11H2,1-3H3,(H,19,22)