heptyl N-(2-isothiocyanatoethyl)carbamate

Systemtic Name: heptyl N-(2-isothiocyanatoethyl)carbamate Openeye Name: heptyl N-(2-isothiocyanatoethyl)carbamate CAS Name: N-(2-isothiocyanatoethyl)carbamic acid heptyl ester IUPAC Name: heptyl N-(2-isothiocyanatoethyl)carbamate Traditional Name: N-(2-isothiocyanatoethyl)carbamic acid heptyl ester Formula: C11H20N2O2S MolecularWeight: 244.3537

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)NCCN=C=S

Isomeric SMILES

CCCCCCCOC(=O)NCCN=C=S

InChI

InChI=1S/C11H20N2O2S/c1-2-3-4-5-6-9-15-11(14)13-8-7-12-10-16/h2-9H2,1H3,(H,13,14)