(E)-3-(1,3-benzothiazol-2-yl)-4-(2,4,5-trimethoxyphenyl)but-3-enoate

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2,4,5-trimethoxyphenyl)but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2,4,5-trimethoxyphenyl)but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2,4,5-trimethoxyphenyl)-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2,4,5-trimethoxyphenyl)but-3-enoate Traditional Name: (E)-4-asaryl-3-(1,3-benzothiazol-2-yl)but-3-enoate Formula: C20H18NO5S- MolecularWeight: 384.42562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=C(CC(=O)[O-])C2=NC3=CC=CC=C3S2)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO5S/c1-24-15-11-17(26-3)16(25-2)9-12(15)8-13(10-19(22)23)20-21-14-6-4-5-7-18(14)27-20/h4-9,11H,10H2,1-3H3,(H,22,23)/p-1/b13-8+