methyl 4-isothiocyanato-3-methyl-piperidine-1-carboxylate

Systemtic Name: methyl 4-isothiocyanato-3-methyl-piperidine-1-carboxylate Openeye Name: methyl 4-isothiocyanato-3-methyl-piperidine-1-carboxylate CAS Name: 4-isothiocyanato-3-methyl-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-isothiocyanato-3-methylpiperidine-1-carboxylate Traditional Name: 4-isothiocyanato-3-methyl-piperidine-1-carboxylic acid methyl ester Formula: C9H14N2O2S MolecularWeight: 214.28466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1N=C=S)C(=O)OC

Isomeric SMILES

CC1CN(CCC1N=C=S)C(=O)OC

InChI

InChI=1S/C9H14N2O2S/c1-7-5-11(9(12)13-2)4-3-8(7)10-6-14/h7-8H,3-5H2,1-2H3