1-[1-(2,2-dimethylpropyl)-2-ethylsulfanyl-5-methyl-pyrrol-3-yl]ethanone

Systemtic Name: 1-[1-(2,2-dimethylpropyl)-2-ethylsulfanyl-5-methyl-pyrrol-3-yl]ethanone Openeye Name: 1-[1-(2,2-dimethylpropyl)-2-ethylsulfanyl-5-methyl-pyrrol-3-yl]ethanone CAS Name: 1-[1-(2,2-dimethylpropyl)-2-(ethylthio)-5-methyl-3-pyrrolyl]ethanone IUPAC Name: 1-[1-(2,2-dimethylpropyl)-2-ethylsulfanyl-5-methylpyrrol-3-yl]ethanone Traditional Name: 1-[2-(ethylthio)-5-methyl-1-neopentyl-pyrrol-3-yl]ethanone Formula: C14H23NOS MolecularWeight: 253.40352

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=C(N1CC(C)(C)C)C)C(=O)C

Isomeric SMILES

CCSC1=C(C=C(N1CC(C)(C)C)C)C(=O)C

InChI

InChI=1S/C14H23NOS/c1-7-17-13-12(11(3)16)8-10(2)15(13)9-14(4,5)6/h8H,7,9H2,1-6H3