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

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-bromophenyl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-bromophenyl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-bromophenyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-bromophenyl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-bromophenyl)pent-4-enoic acid Formula: C18H14BrNO2S MolecularWeight: 388.27826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrNO2S/c19-14-5-3-4-12(11-14)10-13(8-9-17(21)22)18-20-15-6-1-2-7-16(15)23-18/h1-7,10-11H,8-9H2,(H,21,22)/b13-10+