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

Systemtic Name: (phenylmethyl) 3-azanyl-4-(3-bromophenyl)-6-phenyl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: benzyl 3-amino-4-(3-bromophenyl)-6-phenyl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-amino-4-(3-bromophenyl)-6-phenyl-2-thieno[2,3-b]pyridinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-amino-4-(3-bromophenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-amino-4-(3-bromophenyl)-6-phenyl-thieno[2,3-b]pyridine-2-carboxylic acid benzyl ester Formula: C27H19BrN2O2S MolecularWeight: 515.42096

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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)Br)C5=CC=CC=C5)N

Isomeric SMILES

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

InChI

InChI=1S/C27H19BrN2O2S/c28-20-13-7-12-19(14-20)21-15-22(18-10-5-2-6-11-18)30-26-23(21)24(29)25(33-26)27(31)32-16-17-8-3-1-4-9-17/h1-15H,16,29H2