methyl 3-(4-cyano-2,5-dihydrothiophen-3-yl)benzoate

Systemtic Name: methyl 3-(4-cyano-2,5-dihydrothiophen-3-yl)benzoate Openeye Name: methyl 3-(4-cyano-2,5-dihydrothiophen-3-yl)benzoate CAS Name: 3-(4-cyano-2,5-dihydrothiophen-3-yl)benzoic acid methyl ester IUPAC Name: methyl 3-(4-cyano-2,5-dihydrothiophen-3-yl)benzoate Traditional Name: 3-(4-cyano-2,5-dihydrothiophen-3-yl)benzoic acid methyl ester Formula: C13H11NO2S MolecularWeight: 245.29694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C2=C(CSC2)C#N

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C2=C(CSC2)C#N

InChI

InChI=1S/C13H11NO2S/c1-16-13(15)10-4-2-3-9(5-10)12-8-17-7-11(12)6-14/h2-5H,7-8H2,1H3