[2-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 5-bromanylthiophene-2-carboxylate

Systemtic Name: [2-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 5-bromanylthiophene-2-carboxylate Openeye Name: [2-[1-(2-methoxy-1-methyl-ethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 5-bromothiophene-2-carboxylate CAS Name: 5-bromo-2-thiophenecarboxylic acid [2-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 5-bromothiophene-2-carboxylate Traditional Name: 5-bromothiophene-2-carboxylic acid [2-keto-2-[1-(2-methoxy-1-methyl-ethyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C17H20BrNO4S MolecularWeight: 414.314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)COC)C)C(=O)COC(=O)C2=CC=C(S2)Br

Isomeric SMILES

CC1=CC(=C(N1C(C)COC)C)C(=O)COC(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C17H20BrNO4S/c1-10-7-13(12(3)19(10)11(2)8-22-4)14(20)9-23-17(21)15-5-6-16(18)24-15/h5-7,11H,8-9H2,1-4H3