(E)-3-(1,3-benzothiazol-2-yl)-4-(5-bromanyl-2-fluoranyl-phenyl)but-3-enoic acid

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-bromanyl-2-fluoranyl-phenyl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-bromo-2-fluoro-phenyl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-bromo-2-fluorophenyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-bromo-2-fluorophenyl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-bromo-2-fluoro-phenyl)but-3-enoic acid Formula: C17H11BrFNO2S MolecularWeight: 392.242143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11BrFNO2S/c18-12-5-6-13(19)10(8-12)7-11(9-16(21)22)17-20-14-3-1-2-4-15(14)23-17/h1-8H,9H2,(H,21,22)/b11-7+