methyl 2-azanyl-6-[4-(4-bromanylphenoxy)butanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: methyl 2-azanyl-6-[4-(4-bromanylphenoxy)butanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 2-amino-6-[4-(4-bromophenoxy)butanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-amino-6-[4-(4-bromophenoxy)-1-oxobutyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-6-[4-(4-bromophenoxy)butanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-amino-6-[4-(4-bromophenoxy)butanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C19H21BrN2O4S MolecularWeight: 453.35004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCN(C2)C(=O)CCCOC3=CC=C(C=C3)Br)N

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCN(C2)C(=O)CCCOC3=CC=C(C=C3)Br)N

InChI

InChI=1S/C19H21BrN2O4S/c1-25-19(24)17-14-8-9-22(11-15(14)27-18(17)21)16(23)3-2-10-26-13-6-4-12(20)5-7-13/h4-7H,2-3,8-11,21H2,1H3