(E)-3-(1,3-benzothiazol-2-yl)-4-(4-butoxy-3-methoxy-phenyl)but-3-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C(CC(=O)[O-])C2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C(\CC(=O)[O-])/C2=NC3=CC=CC=C3S2)OC

InChI

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