(E)-5-(1,3-benzothiazol-2-yl)-6-(3-ethoxy-4-methoxy-phenyl)hex-5-enoic acid

Systemtic Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-ethoxy-4-methoxy-phenyl)hex-5-enoic acid Openeye Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-ethoxy-4-methoxy-phenyl)hex-5-enoic acid CAS Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-ethoxy-4-methoxyphenyl)-5-hexenoic acid IUPAC Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-ethoxy-4-methoxyphenyl)hex-5-enoic acid Traditional Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-ethoxy-4-methoxy-phenyl)hex-5-enoic acid Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(CCCC(=O)O)C2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\CCCC(=O)O)/C2=NC3=CC=CC=C3S2)OC

InChI

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