ethyl 4-[[4-oxidanyl-3-(pyrrolidin-1-ylmethyl)phenyl]amino]-[1]benzothiolo[3,2-b]pyridine-3-carboxylate

Systemtic Name: ethyl 4-[[4-oxidanyl-3-(pyrrolidin-1-ylmethyl)phenyl]amino]-[1]benzothiolo[3,2-b]pyridine-3-carboxylate Openeye Name: ethyl 4-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)anilino]benzothiopheno[3,2-b]pyridine-3-carboxylate CAS Name: 4-[4-hydroxy-3-(1-pyrrolidinylmethyl)anilino]-[1]benzothiolo[3,2-b]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)anilino]-[1]benzothiolo[3,2-b]pyridine-3-carboxylate Traditional Name: 4-[4-hydroxy-3-(pyrrolidinomethyl)anilino]benzothiopheno[3,2-b]pyridine-3-carboxylic acid ethyl ester Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C3=CC=CC=C3SC2=C1NC4=CC(=C(C=C4)O)CN5CCCC5

Isomeric SMILES

CCOC(=O)C1=CN=C2C3=CC=CC=C3SC2=C1NC4=CC(=C(C=C4)O)CN5CCCC5

InChI

InChI=1S/C25H25N3O3S/c1-2-31-25(30)19-14-26-22-18-7-3-4-8-21(18)32-24(22)23(19)27-17-9-10-20(29)16(13-17)15-28-11-5-6-12-28/h3-4,7-10,13-14,29H,2,5-6,11-12,15H2,1H3,(H,26,27)