3-(2,2-dimethylpropyl)-5-methoxy-1-methyl-2-methylsulfanyl-pyrrole

Systemtic Name: 3-(2,2-dimethylpropyl)-5-methoxy-1-methyl-2-methylsulfanyl-pyrrole Openeye Name: 3-(2,2-dimethylpropyl)-5-methoxy-1-methyl-2-methylsulfanyl-pyrrole CAS Name: 3-(2,2-dimethylpropyl)-5-methoxy-1-methyl-2-(methylthio)pyrrole IUPAC Name: 3-(2,2-dimethylpropyl)-5-methoxy-1-methyl-2-methylsulfanylpyrrole Traditional Name: 5-methoxy-1-methyl-2-(methylthio)-3-neopentyl-pyrrole Formula: C12H21NOS MolecularWeight: 227.36624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=C(N(C(=C1)OC)C)SC

Isomeric SMILES

CC(C)(C)CC1=C(N(C(=C1)OC)C)SC

InChI

InChI=1S/C12H21NOS/c1-12(2,3)8-9-7-10(14-5)13(4)11(9)15-6/h7H,8H2,1-6H3