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

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-ethoxy-2-propoxy-phenyl)but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-ethoxy-2-propoxy-phenyl)but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-ethoxy-2-propoxyphenyl)-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-ethoxy-2-propoxyphenyl)but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-ethoxy-2-propoxy-phenyl)but-3-enoate Formula: C22H22NO4S- MolecularWeight: 396.47938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO4S/c1-3-12-27-21-15(8-7-10-18(21)26-4-2)13-16(14-20(24)25)22-23-17-9-5-6-11-19(17)28-22/h5-11,13H,3-4,12,14H2,1-2H3,(H,24,25)/p-1/b16-13+