methyl 2-isothiocyanato-2-phenyl-propanoate

Systemtic Name: methyl 2-isothiocyanato-2-phenyl-propanoate Openeye Name: methyl 2-isothiocyanato-2-phenyl-propanoate CAS Name: 2-isothiocyanato-2-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-isothiocyanato-2-phenylpropanoate Traditional Name: 2-isothiocyanato-2-phenyl-propionic acid methyl ester Formula: C11H11NO2S MolecularWeight: 221.27554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C(=O)OC)N=C=S

Isomeric SMILES

CC(C1=CC=CC=C1)(C(=O)OC)N=C=S

InChI

InChI=1S/C11H11NO2S/c1-11(12-8-15,10(13)14-2)9-6-4-3-5-7-9/h3-7H,1-2H3