2-tert-butylsulfanyl-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-tert-butylsulfanyl-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone Openeye Name: 2-tert-butylsulfanyl-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-(tert-butylthio)-1-(1-ethyl-2,5-dimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-tert-butylsulfanyl-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 2-(tert-butylthio)-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C14H23NOS MolecularWeight: 253.40352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CSC(C)(C)C)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CSC(C)(C)C)C

InChI

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