(E)-4-(1,3-benzothiazol-2-yl)-5-(4-butoxy-3-ethoxy-phenyl)pent-4-enoic acid

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-butoxy-3-ethoxy-phenyl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-butoxy-3-ethoxy-phenyl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-butoxy-3-ethoxyphenyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-butoxy-3-ethoxyphenyl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-butoxy-3-ethoxy-phenyl)pent-4-enoic acid Formula: C24H27NO4S MolecularWeight: 425.54048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO4S/c1-3-5-14-29-20-12-10-17(16-21(20)28-4-2)15-18(11-13-23(26)27)24-25-19-8-6-7-9-22(19)30-24/h6-10,12,15-16H,3-5,11,13-14H2,1-2H3,(H,26,27)/b18-15+