phenyl 3-azanyl-6-tert-butyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: phenyl 3-azanyl-6-tert-butyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: phenyl 3-amino-6-tert-butyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-amino-6-tert-butyl-4-(4-methoxyphenyl)-2-thieno[2,3-b]pyridinecarboxylic acid phenyl ester IUPAC Name: phenyl 3-amino-6-tert-butyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-amino-6-tert-butyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxylic acid phenyl ester Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C(=C1)C3=CC=C(C=C3)OC)C(=C(S2)C(=O)OC4=CC=CC=C4)N

Isomeric SMILES

CC(C)(C)C1=NC2=C(C(=C1)C3=CC=C(C=C3)OC)C(=C(S2)C(=O)OC4=CC=CC=C4)N

InChI

InChI=1S/C25H24N2O3S/c1-25(2,3)19-14-18(15-10-12-16(29-4)13-11-15)20-21(26)22(31-23(20)27-19)24(28)30-17-8-6-5-7-9-17/h5-14H,26H2,1-4H3