methyl 4-bromanyl-5-[3-[(1-ethanoylpiperidin-4-yl)amino]phenyl]-3-(2-ethoxy-2-oxidanylidene-ethoxy)thiophene-2-carboxylate

Systemtic Name: methyl 4-bromanyl-5-[3-[(1-ethanoylpiperidin-4-yl)amino]phenyl]-3-(2-ethoxy-2-oxidanylidene-ethoxy)thiophene-2-carboxylate Openeye Name: methyl 5-[3-[(1-acetyl-4-piperidyl)amino]phenyl]-4-bromo-3-(2-ethoxy-2-oxo-ethoxy)thiophene-2-carboxylate CAS Name: 5-[3-[(1-acetyl-4-piperidinyl)amino]phenyl]-4-bromo-3-(2-ethoxy-2-oxoethoxy)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[3-[(1-acetylpiperidin-4-yl)amino]phenyl]-4-bromo-3-(2-ethoxy-2-oxoethoxy)thiophene-2-carboxylate Traditional Name: 5-[3-[(1-acetyl-4-piperidyl)amino]phenyl]-4-bromo-3-(2-ethoxy-2-keto-ethoxy)thiophene-2-carboxylic acid methyl ester Formula: C23H27BrN2O6S MolecularWeight: 539.43928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(SC(=C1Br)C2=CC(=CC=C2)NC3CCN(CC3)C(=O)C)C(=O)OC

Isomeric SMILES

CCOC(=O)COC1=C(SC(=C1Br)C2=CC(=CC=C2)NC3CCN(CC3)C(=O)C)C(=O)OC

InChI

InChI=1S/C23H27BrN2O6S/c1-4-31-18(28)13-32-20-19(24)21(33-22(20)23(29)30-3)15-6-5-7-17(12-15)25-16-8-10-26(11-9-16)14(2)27/h5-7,12,16,25H,4,8-11,13H2,1-3H3