(E)-4-(1,3-benzothiazol-2-yl)-5-(4-propoxyphenyl)pent-4-enoate

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-propoxyphenyl)pent-4-enoate Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-propoxyphenyl)pent-4-enoate CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-propoxyphenyl)-4-pentenoate IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-propoxyphenyl)pent-4-enoate Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-propoxyphenyl)pent-4-enoate Formula: C21H20NO3S- MolecularWeight: 366.4534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=C(CCC(=O)[O-])C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=C(\CCC(=O)[O-])/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H21NO3S/c1-2-13-25-17-10-7-15(8-11-17)14-16(9-12-20(23)24)21-22-18-5-3-4-6-19(18)26-21/h3-8,10-11,14H,2,9,12-13H2,1H3,(H,23,24)/p-1/b16-14+