(E)-3-[4-[1-butyl-5-[4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]-2-thiophen-2-yl-imidazol-4-yl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[1-butyl-5-[4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]-2-thiophen-2-yl-imidazol-4-yl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[1-butyl-5-[4-[(E)-3-hydroxy-3-oxo-prop-1-enyl]phenyl]-2-(2-thienyl)imidazol-4-yl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[1-butyl-5-[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]-2-thiophen-2-yl-4-imidazolyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[1-butyl-5-[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]-2-thiophen-2-ylimidazol-4-yl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[1-butyl-5-[4-[(E)-3-hydroxy-3-keto-prop-1-enyl]phenyl]-2-(2-thienyl)imidazol-4-yl]phenyl]acrylic acid Formula: C29H26N2O4S MolecularWeight: 498.59274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1C2=CC=CS2)C3=CC=C(C=C3)C=CC(=O)O)C4=CC=C(C=C4)C=CC(=O)O

Isomeric SMILES

CCCCN1C(=C(N=C1C2=CC=CS2)C3=CC=C(C=C3)/C=C/C(=O)O)C4=CC=C(C=C4)/C=C/C(=O)O

InChI

InChI=1S/C29H26N2O4S/c1-2-3-18-31-28(23-14-8-21(9-15-23)11-17-26(34)35)27(30-29(31)24-5-4-19-36-24)22-12-6-20(7-13-22)10-16-25(32)33/h4-17,19H,2-3,18H2,1H3,(H,32,33)(H,34,35)/b16-10+,17-11+