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

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-methoxy-phenyl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-methoxy-phenyl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-methoxyphenyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-methoxyphenyl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-methoxy-phenyl)pent-4-enoic acid Formula: C21H21NO4S MolecularWeight: 383.46074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4S/c1-3-26-18-13-14(8-10-17(18)25-2)12-15(9-11-20(23)24)21-22-16-6-4-5-7-19(16)27-21/h4-8,10,12-13H,3,9,11H2,1-2H3,(H,23,24)/b15-12+