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

Systemtic Name: (E)-5-(1,3-benzodioxol-5-yl)-4-(1,3-benzothiazol-2-yl)pent-4-enoate Openeye Name: (E)-5-(1,3-benzodioxol-5-yl)-4-(1,3-benzothiazol-2-yl)pent-4-enoate CAS Name: (E)-5-(1,3-benzodioxol-5-yl)-4-(1,3-benzothiazol-2-yl)-4-pentenoate IUPAC Name: (E)-5-(1,3-benzodioxol-5-yl)-4-(1,3-benzothiazol-2-yl)pent-4-enoate Traditional Name: (E)-5-(1,3-benzodioxol-5-yl)-4-(1,3-benzothiazol-2-yl)pent-4-enoate Formula: C19H14NO4S- MolecularWeight: 352.38376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(CCC(=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C(\CCC(=O)[O-])/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H15NO4S/c21-18(22)8-6-13(19-20-14-3-1-2-4-17(14)25-19)9-12-5-7-15-16(10-12)24-11-23-15/h1-5,7,9-10H,6,8,11H2,(H,21,22)/p-1/b13-9+