(E)-3-[5-[3-[bis[2-(6-chloranylpyridin-2-yl)-2-oxidanyl-ethyl]amino]butyl]thiophen-2-yl]but-2-enoate

Systemtic Name: (E)-3-[5-[3-[bis[2-(6-chloranylpyridin-2-yl)-2-oxidanyl-ethyl]amino]butyl]thiophen-2-yl]but-2-enoate Openeye Name: (E)-3-[5-[3-[bis[2-(6-chloro-2-pyridyl)-2-hydroxy-ethyl]amino]butyl]-2-thienyl]but-2-enoate CAS Name: (E)-3-[5-[3-[bis[2-(6-chloro-2-pyridinyl)-2-hydroxyethyl]amino]butyl]-2-thiophenyl]-2-butenoate IUPAC Name: (E)-3-[5-[3-[bis[2-(6-chloropyridin-2-yl)-2-hydroxyethyl]amino]butyl]thiophen-2-yl]but-2-enoate Traditional Name: (E)-3-[5-[3-[bis[2-(6-chloro-2-pyridyl)-2-hydroxy-ethyl]amino]butyl]-2-thienyl]but-2-enoate Formula: C26H28Cl2N3O4S- MolecularWeight: 549.48922

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=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(CCC1=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/C26H29Cl2N3O4S/c1-16(13-26(34)35)23-12-11-18(36-23)10-9-17(2)31(14-21(32)19-5-3-7-24(27)29-19)15-22(33)20-6-4-8-25(28)30-20/h3-8,11-13,17,21-22,32-33H,9-10,14-15H2,1-2H3,(H,34,35)/p-1/b16-13+