propan-2-yl (2S)-2-isocyanato-4-methylsulfanyl-butanoate

Systemtic Name: propan-2-yl (2S)-2-isocyanato-4-methylsulfanyl-butanoate Openeye Name: isopropyl (2S)-2-isocyanato-4-methylsulfanyl-butanoate CAS Name: (2S)-2-isocyanato-4-(methylthio)butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S)-2-isocyanato-4-methylsulfanylbutanoate Traditional Name: (2S)-2-isocyanato-4-(methylthio)butyric acid isopropyl ester Formula: C9H15NO3S MolecularWeight: 217.2853

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15NO3S/c1-7(2)13-9(12)8(10-6-11)4-5-14-3/h7-8H,4-5H2,1-3H3/t8-/m0/s1