(E)-3-(1,3-benzothiazol-2-yl)-4-(4-butoxy-3-ethoxy-phenyl)but-3-enoic acid

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-butoxy-3-ethoxy-phenyl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-butoxy-3-ethoxy-phenyl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-butoxy-3-ethoxyphenyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-butoxy-3-ethoxyphenyl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-butoxy-3-ethoxy-phenyl)but-3-enoic acid Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C(CC(=O)O)C2=NC3=CC=CC=C3S2)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3S2)OCC

InChI

InChI=1S/C23H25NO4S/c1-3-5-12-28-19-11-10-16(14-20(19)27-4-2)13-17(15-22(25)26)23-24-18-8-6-7-9-21(18)29-23/h6-11,13-14H,3-5,12,15H2,1-2H3,(H,25,26)/b17-13+