(phenylmethyl) 3-azanyl-6-(4-fluorophenyl)-4-phenyl-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: (phenylmethyl) 3-azanyl-6-(4-fluorophenyl)-4-phenyl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: benzyl 3-amino-6-(4-fluorophenyl)-4-phenyl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-amino-6-(4-fluorophenyl)-4-phenyl-2-thieno[2,3-b]pyridinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-amino-6-(4-fluorophenyl)-4-phenyl-thieno[2,3-b]pyridine-2-carboxylic acid benzyl ester Formula: C27H19FN2O2S MolecularWeight: 454.515363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=C(C3=C(S2)N=C(C=C3C4=CC=CC=C4)C5=CC=C(C=C5)F)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=C(C3=C(S2)N=C(C=C3C4=CC=CC=C4)C5=CC=C(C=C5)F)N

InChI

InChI=1S/C27H19FN2O2S/c28-20-13-11-19(12-14-20)22-15-21(18-9-5-2-6-10-18)23-24(29)25(33-26(23)30-22)27(31)32-16-17-7-3-1-4-8-17/h1-15H,16,29H2