[2-[bis(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 5-bromanylthiophene-2-carboxylate

Systemtic Name: [2-[bis(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 5-bromanylthiophene-2-carboxylate Openeye Name: [2-[bis(4-methoxyphenyl)methylamino]-2-oxo-ethyl] 5-bromothiophene-2-carboxylate CAS Name: 5-bromo-2-thiophenecarboxylic acid [2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 5-bromothiophene-2-carboxylate Traditional Name: 5-bromothiophene-2-carboxylic acid [2-[bis(4-methoxyphenyl)methylamino]-2-keto-ethyl] ester Formula: C22H20BrNO5S MolecularWeight: 490.3669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=O)COC(=O)C3=CC=C(S3)Br

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=O)COC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C22H20BrNO5S/c1-27-16-7-3-14(4-8-16)21(15-5-9-17(28-2)10-6-15)24-20(25)13-29-22(26)18-11-12-19(23)30-18/h3-12,21H,13H2,1-2H3,(H,24,25)