propan-2-yl 2-isothiocyanatoethanoate

Systemtic Name: propan-2-yl 2-isothiocyanatoethanoate Openeye Name: isopropyl 2-isothiocyanatoacetate CAS Name: 2-isothiocyanatoacetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-isothiocyanatoacetate Traditional Name: 2-isothiocyanatoacetic acid isopropyl ester Formula: C6H9NO2S MolecularWeight: 159.20616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CN=C=S

Isomeric SMILES

CC(C)OC(=O)CN=C=S

InChI

InChI=1S/C6H9NO2S/c1-5(2)9-6(8)3-7-4-10/h5H,3H2,1-2H3