(E)-4-(1,3-benzothiazol-2-yl)-5-(3-ethoxy-2-propoxy-phenyl)pent-4-enoate

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-ethoxy-2-propoxy-phenyl)pent-4-enoate Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-ethoxy-2-propoxy-phenyl)pent-4-enoate CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-ethoxy-2-propoxyphenyl)-4-pentenoate IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-ethoxy-2-propoxyphenyl)pent-4-enoate Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-ethoxy-2-propoxy-phenyl)pent-4-enoate Formula: C23H24NO4S- MolecularWeight: 410.50596

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC=C1OCC)C=C(CCC(=O)[O-])C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCOC1=C(C=CC=C1OCC)/C=C(\CCC(=O)[O-])/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C23H25NO4S/c1-3-14-28-22-16(8-7-10-19(22)27-4-2)15-17(12-13-21(25)26)23-24-18-9-5-6-11-20(18)29-23/h5-11,15H,3-4,12-14H2,1-2H3,(H,25,26)/p-1/b17-15+