[2-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate

Systemtic Name: [2-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate Openeye Name: [2-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate CAS Name: 5-methyl-4-propyl-2-thiophenecarboxylic acid [2-[1-(3-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate Traditional Name: 5-methyl-4-propyl-thiophene-2-carboxylic acid [2-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C23H24BrNO3S MolecularWeight: 474.41056

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)C3=CC(=CC=C3)Br)C)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)C3=CC(=CC=C3)Br)C)C

InChI

InChI=1S/C23H24BrNO3S/c1-5-7-17-11-22(29-16(17)4)23(27)28-13-21(26)20-10-14(2)25(15(20)3)19-9-6-8-18(24)12-19/h6,8-12H,5,7,13H2,1-4H3