ethyl 4-[[3-[(tert-butylamino)methyl]-4-oxidanyl-phenyl]amino]-[1]benzothiolo[3,2-b]pyridine-3-carboxylate

Systemtic Name: ethyl 4-[[3-[(tert-butylamino)methyl]-4-oxidanyl-phenyl]amino]-[1]benzothiolo[3,2-b]pyridine-3-carboxylate Openeye Name: ethyl 4-[3-[(tert-butylamino)methyl]-4-hydroxy-anilino]benzothiopheno[3,2-b]pyridine-3-carboxylate CAS Name: 4-[3-[(tert-butylamino)methyl]-4-hydroxyanilino]-[1]benzothiolo[3,2-b]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(tert-butylamino)methyl]-4-hydroxyanilino]-[1]benzothiolo[3,2-b]pyridine-3-carboxylate Traditional Name: 4-[3-[(tert-butylamino)methyl]-4-hydroxy-anilino]benzothiopheno[3,2-b]pyridine-3-carboxylic acid ethyl ester Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C3=CC=CC=C3SC2=C1NC4=CC(=C(C=C4)O)CNC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C2C3=CC=CC=C3SC2=C1NC4=CC(=C(C=C4)O)CNC(C)(C)C

InChI

InChI=1S/C25H27N3O3S/c1-5-31-24(30)18-14-26-21-17-8-6-7-9-20(17)32-23(21)22(18)28-16-10-11-19(29)15(12-16)13-27-25(2,3)4/h6-12,14,27,29H,5,13H2,1-4H3,(H,26,28)