3-(4-fluoranylphenoxy)propyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate

Systemtic Name: 3-(4-fluoranylphenoxy)propyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Openeye Name: 3-(4-fluorophenoxy)propyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-pyrazinecarboxylic acid 3-(4-fluorophenoxy)propyl ester IUPAC Name: 3-(4-fluorophenoxy)propyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)pyrazinic acid 3-(4-fluorophenoxy)propyl ester Formula: C21H16FN3O3S MolecularWeight: 409.433443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=NC=CN=C3C(=O)OCCCOC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=NC=CN=C3C(=O)OCCCOC4=CC=C(C=C4)F

InChI

InChI=1S/C21H16FN3O3S/c22-14-6-8-15(9-7-14)27-12-3-13-28-21(26)19-18(23-10-11-24-19)20-25-16-4-1-2-5-17(16)29-20/h1-2,4-11H,3,12-13H2