methyl (E)-3-(2-isothiocyanatophenyl)prop-2-enoate

Systemtic Name: methyl (E)-3-(2-isothiocyanatophenyl)prop-2-enoate Openeye Name: methyl (E)-3-(2-isothiocyanatophenyl)prop-2-enoate CAS Name: (E)-3-(2-isothiocyanatophenyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(2-isothiocyanatophenyl)prop-2-enoate Traditional Name: (E)-3-(2-isothiocyanatophenyl)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=C1N=C=S

Isomeric SMILES

COC(=O)/C=C/C1=CC=CC=C1N=C=S

InChI

InChI=1S/C11H9NO2S/c1-14-11(13)7-6-9-4-2-3-5-10(9)12-8-15/h2-7H,1H3/b7-6+