(E)-3-[5-[2-[bis[2-(6-chloranylpyridin-2-yl)-2-oxidanyl-ethyl]amino]propyl]thiophen-2-yl]but-2-enoic acid

Systemtic Name: (E)-3-[5-[2-[bis[2-(6-chloranylpyridin-2-yl)-2-oxidanyl-ethyl]amino]propyl]thiophen-2-yl]but-2-enoic acid Openeye Name: (E)-3-[5-[2-[bis[2-(6-chloro-2-pyridyl)-2-hydroxy-ethyl]amino]propyl]-2-thienyl]but-2-enoic acid CAS Name: (E)-3-[5-[2-[bis[2-(6-chloro-2-pyridinyl)-2-hydroxyethyl]amino]propyl]-2-thiophenyl]-2-butenoic acid IUPAC Name: (E)-3-[5-[2-[bis[2-(6-chloropyridin-2-yl)-2-hydroxyethyl]amino]propyl]thiophen-2-yl]but-2-enoic acid Traditional Name: (E)-3-[5-[2-[bis[2-(6-chloro-2-pyridyl)-2-hydroxy-ethyl]amino]propyl]-2-thienyl]but-2-enoic acid Formula: C25H27Cl2N3O4S MolecularWeight: 536.47058

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(S1)C(=CC(=O)O)C)N(CC(C2=NC(=CC=C2)Cl)O)CC(C3=NC(=CC=C3)Cl)O

Isomeric SMILES

CC(CC1=CC=C(S1)/C(=C/C(=O)O)/C)N(CC(C2=NC(=CC=C2)Cl)O)CC(C3=NC(=CC=C3)Cl)O

InChI

InChI=1S/C25H27Cl2N3O4S/c1-15(11-25(33)34)22-10-9-17(35-22)12-16(2)30(13-20(31)18-5-3-7-23(26)28-18)14-21(32)19-6-4-8-24(27)29-19/h3-11,16,20-21,31-32H,12-14H2,1-2H3,(H,33,34)/b15-11+