(E)-4-(1,3-benzothiazol-2-yl)-5-(4-pentoxyphenyl)pent-4-enoic acid

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-pentoxyphenyl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-pentoxyphenyl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-pentoxyphenyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-pentoxyphenyl)pent-4-enoic acid Traditional Name: (E)-5-(4-amoxyphenyl)-4-(1,3-benzothiazol-2-yl)pent-4-enoic acid Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=C(CCC(=O)O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=C(\CCC(=O)O)/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C23H25NO3S/c1-2-3-6-15-27-19-12-9-17(10-13-19)16-18(11-14-22(25)26)23-24-20-7-4-5-8-21(20)28-23/h4-5,7-10,12-13,16H,2-3,6,11,14-15H2,1H3,(H,25,26)/b18-16+