tert-butyl N-[2-(2-chloranyl-6-oxidanyl-4-oxidanylidene-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl)ethyl]carbamate

Systemtic Name: tert-butyl N-[2-(2-chloranyl-6-oxidanyl-4-oxidanylidene-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl)ethyl]carbamate Openeye Name: tert-butyl N-[2-(2-chloro-6-hydroxy-4-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl)ethyl]carbamate CAS Name: N-[2-(2-chloro-6-hydroxy-4-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl)ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(2-chloro-6-hydroxy-4-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl)ethyl]carbamate Traditional Name: N-[2-(2-chloro-6-hydroxy-4-keto-5-phenyl-7H-thieno[2,3-b]pyridin-3-yl)ethyl]carbamic acid tert-butyl ester Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC1=C(SC2=C1C(=O)C(=C(N2)O)C3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCCC1=C(SC2=C1C(=O)C(=C(N2)O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C20H21ClN2O4S/c1-20(2,3)27-19(26)22-10-9-12-14-15(24)13(11-7-5-4-6-8-11)17(25)23-18(14)28-16(12)21/h4-8H,9-10H2,1-3H3,(H,22,26)(H2,23,24,25)