methyl (3S)-3-isocyanato-3-(4-methylsulfanylphenyl)propanoate

Systemtic Name: methyl (3S)-3-isocyanato-3-(4-methylsulfanylphenyl)propanoate Openeye Name: methyl (3S)-3-isocyanato-3-(4-methylsulfanylphenyl)propanoate CAS Name: (3S)-3-isocyanato-3-[4-(methylthio)phenyl]propanoic acid methyl ester IUPAC Name: methyl (3S)-3-isocyanato-3-(4-methylsulfanylphenyl)propanoate Traditional Name: (3S)-3-isocyanato-3-[4-(methylthio)phenyl]propionic acid methyl ester Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=C(C=C1)SC)N=C=O

Isomeric SMILES

COC(=O)C[C@@H](C1=CC=C(C=C1)SC)N=C=O

InChI

InChI=1S/C12H13NO3S/c1-16-12(15)7-11(13-8-14)9-3-5-10(17-2)6-4-9/h3-6,11H,7H2,1-2H3/t11-/m0/s1