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

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-methoxy-3-propoxy-phenyl)pent-4-enoate Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-methoxy-3-propoxy-phenyl)pent-4-enoate CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-methoxy-3-propoxyphenyl)-4-pentenoate IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-methoxy-3-propoxyphenyl)pent-4-enoate Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-methoxy-3-propoxy-phenyl)pent-4-enoate Formula: C22H22NO4S- MolecularWeight: 396.47938

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)C=C(CCC(=O)[O-])C2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CCCOC1=C(C=CC(=C1)/C=C(\CCC(=O)[O-])/C2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C22H23NO4S/c1-3-12-27-19-14-15(8-10-18(19)26-2)13-16(9-11-21(24)25)22-23-17-6-4-5-7-20(17)28-22/h4-8,10,13-14H,3,9,11-12H2,1-2H3,(H,24,25)/p-1/b16-13+