(E)-4-[[6-fluoranyl-2-[[1-[4-(4-fluoranylphenoxy)butyl]piperidin-4-yl]-methyl-amino]-3,4-dihydro-1,2-benzothiazin-3-yl]oxy]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[6-fluoranyl-2-[[1-[4-(4-fluoranylphenoxy)butyl]piperidin-4-yl]-methyl-amino]-3,4-dihydro-1,2-benzothiazin-3-yl]oxy]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[6-fluoro-2-[[1-[4-(4-fluorophenoxy)butyl]-4-piperidyl]-methyl-amino]-3,4-dihydro-1,2-benzothiazin-3-yl]oxy]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[6-fluoro-2-[[1-[4-(4-fluorophenoxy)butyl]-4-piperidinyl]-methylamino]-3,4-dihydro-1,2-benzothiazin-3-yl]oxy]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[6-fluoro-2-[[1-[4-(4-fluorophenoxy)butyl]piperidin-4-yl]-methylamino]-3,4-dihydro-1,2-benzothiazin-3-yl]oxy]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[6-fluoro-2-[[1-[4-(4-fluorophenoxy)butyl]-4-piperidyl]-methyl-amino]-3,4-dihydro-1,2-benzothiazin-3-yl]oxy]-4-keto-but-2-enoic acid Formula: C28H33F2N3O5S MolecularWeight: 561.640526

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)CCCCOC2=CC=C(C=C2)F)N3C(CC4=C(S3)C=CC(=C4)F)OC(=O)C=CC(=O)O

Isomeric SMILES

CN(C1CCN(CC1)CCCCOC2=CC=C(C=C2)F)N3C(CC4=C(S3)C=CC(=C4)F)OC(=O)/C=C/C(=O)O

InChI

InChI=1S/C28H33F2N3O5S/c1-31(23-12-15-32(16-13-23)14-2-3-17-37-24-7-4-21(29)5-8-24)33-26(38-28(36)11-10-27(34)35)19-20-18-22(30)6-9-25(20)39-33/h4-11,18,23,26H,2-3,12-17,19H2,1H3,(H,34,35)/b11-10+