tert-butyl 4-[3-[3-bromanyl-4-(2-ethoxy-2-oxidanylidene-ethoxy)-5-methoxycarbonyl-thiophen-2-yl]phenoxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[3-bromanyl-4-(2-ethoxy-2-oxidanylidene-ethoxy)-5-methoxycarbonyl-thiophen-2-yl]phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[3-bromo-4-(2-ethoxy-2-oxo-ethoxy)-5-methoxycarbonyl-2-thienyl]phenoxy]piperidine-1-carboxylate CAS Name: 4-[3-[3-bromo-4-(2-ethoxy-2-oxoethoxy)-5-methoxycarbonyl-2-thiophenyl]phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[3-bromo-4-(2-ethoxy-2-oxoethoxy)-5-methoxycarbonylthiophen-2-yl]phenoxy]piperidine-1-carboxylate Traditional Name: 4-[3-[3-bromo-5-carbomethoxy-4-(2-ethoxy-2-keto-ethoxy)-2-thienyl]phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H32BrNO8S MolecularWeight: 598.50318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32BrNO8S/c1-6-33-19(29)15-34-21-20(27)22(37-23(21)24(30)32-5)16-8-7-9-18(14-16)35-17-10-12-28(13-11-17)25(31)36-26(2,3)4/h7-9,14,17H,6,10-13,15H2,1-5H3