methyl 3-[4-(4-bromanylphenoxy)butanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(4-bromanylphenoxy)butanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[4-(4-bromophenoxy)butanoylamino]thiophene-2-carboxylate CAS Name: 3-[[4-(4-bromophenoxy)-1-oxobutyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(4-bromophenoxy)butanoylamino]thiophene-2-carboxylate Traditional Name: 3-[4-(4-bromophenoxy)butanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C16H16BrNO4S MolecularWeight: 398.27154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CCCOC2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CCCOC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H16BrNO4S/c1-21-16(20)15-13(8-10-23-15)18-14(19)3-2-9-22-12-6-4-11(17)5-7-12/h4-8,10H,2-3,9H2,1H3,(H,18,19)