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

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-methoxy-4-prop-2-enoxy-phenyl)pent-4-enoate Openeye Name: (E)-5-(4-allyloxy-3-methoxy-phenyl)-4-(1,3-benzothiazol-2-yl)pent-4-enoate CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-methoxy-4-prop-2-enoxyphenyl)-4-pentenoate IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-methoxy-4-prop-2-enoxyphenyl)pent-4-enoate Traditional Name: (E)-5-(4-allyloxy-3-methoxy-phenyl)-4-(1,3-benzothiazol-2-yl)pent-4-enoate Formula: C22H20NO4S- MolecularWeight: 394.4635

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(CCC(=O)[O-])C2=NC3=CC=CC=C3S2)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\CCC(=O)[O-])/C2=NC3=CC=CC=C3S2)OCC=C

InChI

InChI=1S/C22H21NO4S/c1-3-12-27-18-10-8-15(14-19(18)26-2)13-16(9-11-21(24)25)22-23-17-6-4-5-7-20(17)28-22/h3-8,10,13-14H,1,9,11-12H2,2H3,(H,24,25)/p-1/b16-13+