methyl 2-[1-(2-cyanophenyl)pyrrol-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[1-(2-cyanophenyl)pyrrol-2-yl]sulfanylethanoate Openeye Name: methyl 2-[1-(2-cyanophenyl)pyrrol-2-yl]sulfanylacetate CAS Name: 2-[[1-(2-cyanophenyl)-2-pyrrolyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-(2-cyanophenyl)pyrrol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(2-cyanophenyl)pyrrol-2-yl]thio]acetic acid methyl ester Formula: C14H12N2O2S MolecularWeight: 272.32228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=CC=CN1C2=CC=CC=C2C#N

Isomeric SMILES

COC(=O)CSC1=CC=CN1C2=CC=CC=C2C#N

InChI

InChI=1S/C14H12N2O2S/c1-18-14(17)10-19-13-7-4-8-16(13)12-6-3-2-5-11(12)9-15/h2-8H,10H2,1H3