methyl 2-cyano-5-methylsulfonyl-4-(1H-pyrrol-2-yl)benzoate

Systemtic Name: methyl 2-cyano-5-methylsulfonyl-4-(1H-pyrrol-2-yl)benzoate Openeye Name: methyl 2-cyano-5-methylsulfonyl-4-(1H-pyrrol-2-yl)benzoate CAS Name: 2-cyano-5-methylsulfonyl-4-(1H-pyrrol-2-yl)benzoic acid methyl ester IUPAC Name: methyl 2-cyano-5-methylsulfonyl-4-(1H-pyrrol-2-yl)benzoate Traditional Name: 2-cyano-5-mesyl-4-(1H-pyrrol-2-yl)benzoic acid methyl ester Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1C#N)C2=CC=CN2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1C#N)C2=CC=CN2)S(=O)(=O)C

InChI

InChI=1S/C14H12N2O4S/c1-20-14(17)10-7-13(21(2,18)19)11(6-9(10)8-15)12-4-3-5-16-12/h3-7,16H,1-2H3