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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OC)C=C(CCCC(=O)O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC1=CC=CC(=C1OC)/C=C(\CCCC(=O)O)/C2=NC3=CC=CC=C3S2

InChI

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