[2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(2,5-dimethyl-3-thienyl)-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(2,5-dimethyl-3-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(2,5-dimethyl-3-thienyl)-2-keto-ethyl] ester Formula: C13H12BrNO3S MolecularWeight: 342.20828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)COC(=O)C2=CC(=CN2)Br

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)COC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C13H12BrNO3S/c1-7-3-10(8(2)19-7)12(16)6-18-13(17)11-4-9(14)5-15-11/h3-5,15H,6H2,1-2H3