(2-chloranyl-6-fluoranyl-phenyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-pyrazinecarboxylic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)pyrazinic acid (2-chloro-6-fluoro-benzyl) ester Formula: C19H11ClFN3O2S MolecularWeight: 399.825943

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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=CC=C4Cl)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=NC=CN=C3C(=O)OCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C19H11ClFN3O2S/c20-12-4-3-5-13(21)11(12)10-26-19(25)17-16(22-8-9-23-17)18-24-14-6-1-2-7-15(14)27-18/h1-9H,10H2