(2-bromanyl-4-fluoranyl-phenyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate

Systemtic Name: (2-bromanyl-4-fluoranyl-phenyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Openeye Name: (2-bromo-4-fluoro-phenyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-pyrazinecarboxylic acid (2-bromo-4-fluorophenyl)methyl ester IUPAC Name: (2-bromo-4-fluorophenyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)pyrazinic acid (2-bromo-4-fluoro-benzyl) ester Formula: C19H11BrFN3O2S MolecularWeight: 444.276943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=NC=CN=C3C(=O)OCC4=C(C=C(C=C4)F)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=NC=CN=C3C(=O)OCC4=C(C=C(C=C4)F)Br

InChI

InChI=1S/C19H11BrFN3O2S/c20-13-9-12(21)6-5-11(13)10-26-19(25)17-16(22-7-8-23-17)18-24-14-3-1-2-4-15(14)27-18/h1-9H,10H2