methyl (Z)-2-isothiocyanato-3-phenyl-prop-2-enoate

Systemtic Name: methyl (Z)-2-isothiocyanato-3-phenyl-prop-2-enoate Openeye Name: methyl (Z)-2-isothiocyanato-3-phenyl-prop-2-enoate CAS Name: (Z)-2-isothiocyanato-3-phenyl-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-2-isothiocyanato-3-phenylprop-2-enoate Traditional Name: (Z)-2-isothiocyanato-3-phenyl-acrylic acid methyl ester Formula: C11H9NO2S MolecularWeight: 219.25966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC=CC=C1)N=C=S

Isomeric SMILES

COC(=O)/C(=C/C1=CC=CC=C1)/N=C=S

InChI

InChI=1S/C11H9NO2S/c1-14-11(13)10(12-8-15)7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7-