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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C(CCC(=O)O)C2=NC3=CC=CC=C3S2)Br

Isomeric SMILES

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

InChI

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