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

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3,5-dimethoxyphenyl)but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3,5-dimethoxyphenyl)but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3,5-dimethoxyphenyl)-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3,5-dimethoxyphenyl)but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3,5-dimethoxyphenyl)but-3-enoate Formula: C19H16NO4S- MolecularWeight: 354.39964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO4S/c1-23-14-8-12(9-15(11-14)24-2)7-13(10-18(21)22)19-20-16-5-3-4-6-17(16)25-19/h3-9,11H,10H2,1-2H3,(H,21,22)/p-1/b13-7+