ethyl 4-[4-[(5-bromanylthiophen-2-yl)methoxy]-3-methoxy-phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(5-bromanylthiophen-2-yl)methoxy]-3-methoxy-phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(5-bromo-2-thienyl)methoxy]-3-methoxy-benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[(5-bromo-2-thiophenyl)methoxy]-3-methoxyphenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(5-bromothiophen-2-yl)methoxy]-3-methoxybenzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(5-bromo-2-thienyl)methoxy]-3-methoxy-benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H23BrN2O5S MolecularWeight: 483.37602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)OCC3=CC=C(S3)Br)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)OCC3=CC=C(S3)Br)OC

InChI

InChI=1S/C20H23BrN2O5S/c1-3-27-20(25)23-10-8-22(9-11-23)19(24)14-4-6-16(17(12-14)26-2)28-13-15-5-7-18(21)29-15/h4-7,12H,3,8-11,13H2,1-2H3