O4-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[2-(5-bromo-2-thienyl)-2-oxo-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester O2-ethyl ester IUPAC Name: 4-O-[2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-(5-bromo-2-thienyl)-2-keto-ethyl] ester O2-ethyl ester Formula: C16H16BrNO5S MolecularWeight: 414.27094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)C2=CC=C(S2)Br)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)C2=CC=C(S2)Br)C

InChI

InChI=1S/C16H16BrNO5S/c1-4-22-16(21)14-8(2)13(9(3)18-14)15(20)23-7-10(19)11-5-6-12(17)24-11/h5-6,18H,4,7H2,1-3H3