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

Systemtic Name: O4-[2-[(5-bromanylthiophen-2-yl)methyl-prop-2-enyl-amino]-2-oxidanylidene-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[2-[allyl-[(5-bromo-2-thienyl)methyl]amino]-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)methyl-prop-2-enylamino]-2-oxoethyl] ester O2-ethyl ester IUPAC Name: 4-O-[2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-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-[allyl-[(5-bromo-2-thienyl)methyl]amino]-2-keto-ethyl] ester O2-ethyl ester Formula: C20H23BrN2O5S MolecularWeight: 483.37602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)N(CC=C)CC2=CC=C(S2)Br)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)N(CC=C)CC2=CC=C(S2)Br)C

InChI

InChI=1S/C20H23BrN2O5S/c1-5-9-23(10-14-7-8-15(21)29-14)16(24)11-28-19(25)17-12(3)18(22-13(17)4)20(26)27-6-2/h5,7-8,22H,1,6,9-11H2,2-4H3