(E)-4-(1,3-benzothiazol-2-yl)-5-[4-(3-methylbutoxy)phenyl]pent-4-enoate

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[4-(3-methylbutoxy)phenyl]pent-4-enoate Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-isopentyloxyphenyl)pent-4-enoate CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[4-(3-methylbutoxy)phenyl]-4-pentenoate IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[4-(3-methylbutoxy)phenyl]pent-4-enoate Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-isoamoxyphenyl)pent-4-enoate Formula: C23H24NO3S- MolecularWeight: 394.50656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C=C(CCC(=O)[O-])C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)/C=C(\CCC(=O)[O-])/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C23H25NO3S/c1-16(2)13-14-27-19-10-7-17(8-11-19)15-18(9-12-22(25)26)23-24-20-5-3-4-6-21(20)28-23/h3-8,10-11,15-16H,9,12-14H2,1-2H3,(H,25,26)/p-1/b18-15+