ethyl 5-chloranyl-4-[(4-fluorophenyl)sulfonyl-methyl-amino]thieno[3,4-b]pyridine-3-carboxylate

Systemtic Name: ethyl 5-chloranyl-4-[(4-fluorophenyl)sulfonyl-methyl-amino]thieno[3,4-b]pyridine-3-carboxylate Openeye Name: ethyl 5-chloro-4-[(4-fluorophenyl)sulfonyl-methyl-amino]thieno[3,4-b]pyridine-3-carboxylate CAS Name: 5-chloro-4-[(4-fluorophenyl)sulfonyl-methylamino]-3-thieno[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-4-[(4-fluorophenyl)sulfonyl-methylamino]thieno[3,4-b]pyridine-3-carboxylate Traditional Name: 5-chloro-4-[(4-fluorophenyl)sulfonyl-methyl-amino]thieno[3,4-b]pyridine-3-carboxylic acid ethyl ester Formula: C17H14ClFN2O4S2 MolecularWeight: 428.885463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(SC=C2N=C1)Cl)N(C)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(C2=C(SC=C2N=C1)Cl)N(C)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H14ClFN2O4S2/c1-3-25-17(22)12-8-20-13-9-26-16(18)14(13)15(12)21(2)27(23,24)11-6-4-10(19)5-7-11/h4-9H,3H2,1-2H3