ethyl 4-isothiocyanatoazepane-1-carboxylate

Systemtic Name: ethyl 4-isothiocyanatoazepane-1-carboxylate Openeye Name: ethyl 4-isothiocyanatoazepane-1-carboxylate CAS Name: 4-isothiocyanato-1-azepanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-isothiocyanatoazepane-1-carboxylate Traditional Name: 4-isothiocyanatoazepane-1-carboxylic acid ethyl ester Formula: C10H16N2O2S MolecularWeight: 228.31124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCC(CC1)N=C=S

Isomeric SMILES

CCOC(=O)N1CCCC(CC1)N=C=S

InChI

InChI=1S/C10H16N2O2S/c1-2-14-10(13)12-6-3-4-9(5-7-12)11-8-15/h9H,2-7H2,1H3