3-azanyl-6-(3,5-ditert-butylphenyl)-4-phenyl-thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 3-azanyl-6-(3,5-ditert-butylphenyl)-4-phenyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-(3,5-ditert-butylphenyl)-4-phenyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-(3,5-ditert-butylphenyl)-4-phenyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-(3,5-ditert-butylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-(3,5-ditert-butylphenyl)-4-phenyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C28H30N2O2S MolecularWeight: 458.615

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2=NC3=C(C(=C2)C4=CC=CC=C4)C(=C(S3)C(=O)O)N)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2=NC3=C(C(=C2)C4=CC=CC=C4)C(=C(S3)C(=O)O)N)C(C)(C)C

InChI

InChI=1S/C28H30N2O2S/c1-27(2,3)18-12-17(13-19(14-18)28(4,5)6)21-15-20(16-10-8-7-9-11-16)22-23(29)24(26(31)32)33-25(22)30-21/h7-15H,29H2,1-6H3,(H,31,32)