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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(=O)COC(=O)C2=CC(=CN2)Br

Isomeric SMILES

CCC1=CC=C(S1)C(=O)COC(=O)C2=CC(=CN2)Br

InChI

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