propan-2-yl (2S)-2-isocyanato-3-methyl-butanoate

Systemtic Name: propan-2-yl (2S)-2-isocyanato-3-methyl-butanoate Openeye Name: isopropyl (2S)-2-isocyanato-3-methyl-butanoate CAS Name: (2S)-2-isocyanato-3-methylbutanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S)-2-isocyanato-3-methylbutanoate Traditional Name: (2S)-2-isocyanato-3-methyl-butyric acid isopropyl ester Formula: C9H15NO3 MolecularWeight: 185.2203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C)N=C=O

Isomeric SMILES

CC(C)[C@@H](C(=O)OC(C)C)N=C=O

InChI

InChI=1S/C9H15NO3/c1-6(2)8(10-5-11)9(12)13-7(3)4/h6-8H,1-4H3/t8-/m0/s1