methyl 2-[(E)-2-(3-cyanophenyl)ethenyl]sulfanylbenzoate

Systemtic Name: methyl 2-[(E)-2-(3-cyanophenyl)ethenyl]sulfanylbenzoate Openeye Name: methyl 2-[(E)-2-(3-cyanophenyl)vinyl]sulfanylbenzoate CAS Name: 2-[[(E)-2-(3-cyanophenyl)ethenyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[(E)-2-(3-cyanophenyl)ethenyl]sulfanylbenzoate Traditional Name: 2-[[(E)-2-(3-cyanophenyl)vinyl]thio]benzoic acid methyl ester Formula: C17H13NO2S MolecularWeight: 295.35562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SC=CC2=CC=CC(=C2)C#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1S/C=C/C2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H13NO2S/c1-20-17(19)15-7-2-3-8-16(15)21-10-9-13-5-4-6-14(11-13)12-18/h2-11H,1H3/b10-9+