2-(4-tert-butylphenyl)-4-(oxolan-2-ylmethylamino)thieno[3,2-c]pyridine-7-carboxylic acid

Systemtic Name: 2-(4-tert-butylphenyl)-4-(oxolan-2-ylmethylamino)thieno[3,2-c]pyridine-7-carboxylic acid Openeye Name: 2-(4-tert-butylphenyl)-4-(tetrahydrofuran-2-ylmethylamino)thieno[3,2-c]pyridine-7-carboxylic acid CAS Name: 2-(4-tert-butylphenyl)-4-(2-oxolanylmethylamino)-7-thieno[3,2-c]pyridinecarboxylic acid IUPAC Name: 2-(4-tert-butylphenyl)-4-(oxolan-2-ylmethylamino)thieno[3,2-c]pyridine-7-carboxylic acid Traditional Name: 2-(4-tert-butylphenyl)-4-(tetrahydrofurfurylamino)thieno[3,2-c]pyridine-7-carboxylic acid Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC3=C(S2)C(=CN=C3NCC4CCCO4)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC3=C(S2)C(=CN=C3NCC4CCCO4)C(=O)O

InChI

InChI=1S/C23H26N2O3S/c1-23(2,3)15-8-6-14(7-9-15)19-11-17-20(29-19)18(22(26)27)13-25-21(17)24-12-16-5-4-10-28-16/h6-9,11,13,16H,4-5,10,12H2,1-3H3,(H,24,25)(H,26,27)