(E)-4-[1-(3-cyanopropyl)-4-(6-fluoranyl-1-benzothiophen-3-yl)piperazin-2-yl]oxy-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-[1-(3-cyanopropyl)-4-(6-fluoranyl-1-benzothiophen-3-yl)piperazin-2-yl]oxy-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[1-(3-cyanopropyl)-4-(6-fluorobenzothiophen-3-yl)piperazin-2-yl]oxy-4-oxo-but-2-enoate CAS Name: (E)-4-[[1-(3-cyanopropyl)-4-(6-fluoro-1-benzothiophen-3-yl)-2-piperazinyl]oxy]-4-oxo-2-butenoate IUPAC Name: (E)-4-[1-(3-cyanopropyl)-4-(6-fluoro-1-benzothiophen-3-yl)piperazin-2-yl]oxy-4-oxobut-2-enoate Traditional Name: (E)-4-[1-(3-cyanopropyl)-4-(6-fluorobenzothiophen-3-yl)piperazin-2-yl]oxy-4-keto-but-2-enoate Formula: C20H19FN3O4S- MolecularWeight: 416.445963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C2=CSC3=C2C=CC(=C3)F)OC(=O)C=CC(=O)[O-])CCCC#N

Isomeric SMILES

C1CN(C(CN1C2=CSC3=C2C=CC(=C3)F)OC(=O)/C=C/C(=O)[O-])CCCC#N

InChI

InChI=1S/C20H20FN3O4S/c21-14-3-4-15-16(13-29-17(15)11-14)24-10-9-23(8-2-1-7-22)18(12-24)28-20(27)6-5-19(25)26/h3-6,11,13,18H,1-2,8-10,12H2,(H,25,26)/p-1/b6-5+