(4-cyanophenyl)methyl 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate Openeye Name: (4-cyanophenyl)methyl 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-(1-pyrrolyl)-3-thiophenecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylic acid (4-cyanobenzyl) ester Formula: C19H16N2O2S MolecularWeight: 336.40754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC2=CC=C(C=C2)C#N)N3C=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC2=CC=C(C=C2)C#N)N3C=CC=C3)C

InChI

InChI=1S/C19H16N2O2S/c1-13-14(2)24-18(21-9-3-4-10-21)17(13)19(22)23-12-16-7-5-15(11-20)6-8-16/h3-10H,12H2,1-2H3