methyl 6-(2-azanyl-2-oxidanylidene-ethyl)-4-(4-bromanylphenoxy)-2H-thieno[2,3-c]pyridine-2-carboxylate

Systemtic Name: methyl 6-(2-azanyl-2-oxidanylidene-ethyl)-4-(4-bromanylphenoxy)-2H-thieno[2,3-c]pyridine-2-carboxylate Openeye Name: methyl 6-(2-amino-2-oxo-ethyl)-4-(4-bromophenoxy)-2H-thieno[2,3-c]pyridine-2-carboxylate CAS Name: 6-(2-amino-2-oxoethyl)-4-(4-bromophenoxy)-2H-thieno[2,3-c]pyridine-2-carboxylic acid methyl ester IUPAC Name: methyl 6-(2-amino-2-oxoethyl)-4-(4-bromophenoxy)-2H-thieno[2,3-c]pyridine-2-carboxylate Traditional Name: 6-(2-amino-2-keto-ethyl)-4-(4-bromophenoxy)-2H-thieno[2,3-c]pyridine-2-carboxylic acid methyl ester Formula: C17H15BrN2O4S MolecularWeight: 423.281

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C=C2C(=CN(C=C2S1)CC(=O)N)OC3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1C=C2C(=CN(C=C2S1)CC(=O)N)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H15BrN2O4S/c1-23-17(22)14-6-12-13(24-11-4-2-10(18)3-5-11)7-20(9-16(19)21)8-15(12)25-14/h2-8,14H,9H2,1H3,(H2,19,21)