methyl 4-bromanyl-3-(2-ethoxy-2-oxidanylidene-ethoxy)-5-[3-[1-(phenylmethyl)sulfonylpiperidin-4-yl]oxyphenyl]thiophene-2-carboxylate

Systemtic Name: methyl 4-bromanyl-3-(2-ethoxy-2-oxidanylidene-ethoxy)-5-[3-[1-(phenylmethyl)sulfonylpiperidin-4-yl]oxyphenyl]thiophene-2-carboxylate Openeye Name: methyl 5-[3-[(1-benzylsulfonyl-4-piperidyl)oxy]phenyl]-4-bromo-3-(2-ethoxy-2-oxo-ethoxy)thiophene-2-carboxylate CAS Name: 4-bromo-3-(2-ethoxy-2-oxoethoxy)-5-[3-[[1-(phenylmethyl)sulfonyl-4-piperidinyl]oxy]phenyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[3-(1-benzylsulfonylpiperidin-4-yl)oxyphenyl]-4-bromo-3-(2-ethoxy-2-oxoethoxy)thiophene-2-carboxylate Traditional Name: 5-[3-[(1-benzylsulfonyl-4-piperidyl)oxy]phenyl]-4-bromo-3-(2-ethoxy-2-keto-ethoxy)thiophene-2-carboxylic acid methyl ester Formula: C28H30BrNO8S2 MolecularWeight: 652.5737

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(SC(=C1Br)C2=CC(=CC=C2)OC3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CCOC(=O)COC1=C(SC(=C1Br)C2=CC(=CC=C2)OC3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C28H30BrNO8S2/c1-3-36-23(31)17-37-25-24(29)26(39-27(25)28(32)35-2)20-10-7-11-22(16-20)38-21-12-14-30(15-13-21)40(33,34)18-19-8-5-4-6-9-19/h4-11,16,21H,3,12-15,17-18H2,1-2H3