ethyl 2-[4-(2-acetamidoethyl)-3-fluoranyl-phenyl]carbonyl-3-azanyl-6-methyl-thieno[2,3-b]pyridine-5-carboxylate

Systemtic Name: ethyl 2-[4-(2-acetamidoethyl)-3-fluoranyl-phenyl]carbonyl-3-azanyl-6-methyl-thieno[2,3-b]pyridine-5-carboxylate Openeye Name: ethyl 2-[4-(2-acetamidoethyl)-3-fluoro-benzoyl]-3-amino-6-methyl-thieno[2,3-b]pyridine-5-carboxylate CAS Name: 2-[[4-(2-acetamidoethyl)-3-fluorophenyl]-oxomethyl]-3-amino-6-methyl-5-thieno[2,3-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-acetamidoethyl)-3-fluorobenzoyl]-3-amino-6-methylthieno[2,3-b]pyridine-5-carboxylate Traditional Name: 2-[4-(2-acetamidoethyl)-3-fluoro-benzoyl]-3-amino-6-methyl-thieno[2,3-b]pyridine-5-carboxylic acid ethyl ester Formula: C22H22FN3O4S MolecularWeight: 443.491183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C(=C1)C(=C(S2)C(=O)C3=CC(=C(C=C3)CCNC(=O)C)F)N)C

Isomeric SMILES

CCOC(=O)C1=C(N=C2C(=C1)C(=C(S2)C(=O)C3=CC(=C(C=C3)CCNC(=O)C)F)N)C

InChI

InChI=1S/C22H22FN3O4S/c1-4-30-22(29)15-10-16-18(24)20(31-21(16)26-11(15)2)19(28)14-6-5-13(17(23)9-14)7-8-25-12(3)27/h5-6,9-10H,4,7-8,24H2,1-3H3,(H,25,27)