(2-tert-butylphenyl) 2-isothiocyanatopropanoate

Systemtic Name: (2-tert-butylphenyl) 2-isothiocyanatopropanoate Openeye Name: (2-tert-butylphenyl) 2-isothiocyanatopropanoate CAS Name: 2-isothiocyanatopropanoic acid (2-tert-butylphenyl) ester IUPAC Name: (2-tert-butylphenyl) 2-isothiocyanatopropanoate Traditional Name: 2-isothiocyanatopropionic acid (2-tert-butylphenyl) ester Formula: C14H17NO2S MolecularWeight: 263.35528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC=CC=C1C(C)(C)C)N=C=S

Isomeric SMILES

CC(C(=O)OC1=CC=CC=C1C(C)(C)C)N=C=S

InChI

InChI=1S/C14H17NO2S/c1-10(15-9-18)13(16)17-12-8-6-5-7-11(12)14(2,3)4/h5-8,10H,1-4H3