(E)-4-(1,3-benzothiazol-2-yl)-5-pyridin-3-yl-pent-4-enoic acid

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-pyridin-3-yl-pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-pyridyl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-pyridinyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-pyridin-3-ylpent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-pyridyl)pent-4-enoic acid Formula: C17H14N2O2S MolecularWeight: 310.37026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CN=CC=C3)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CN=CC=C3)/CCC(=O)O

InChI

InChI=1S/C17H14N2O2S/c20-16(21)8-7-13(10-12-4-3-9-18-11-12)17-19-14-5-1-2-6-15(14)22-17/h1-6,9-11H,7-8H2,(H,20,21)/b13-10+