methyl 3-[4-(5-bromanylthiophen-2-yl)butanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(5-bromanylthiophen-2-yl)butanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[4-(5-bromo-2-thienyl)butanoylamino]thiophene-2-carboxylate CAS Name: 3-[[4-(5-bromo-2-thiophenyl)-1-oxobutyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(5-bromothiophen-2-yl)butanoylamino]thiophene-2-carboxylate Traditional Name: 3-[4-(5-bromo-2-thienyl)butanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C14H14BrNO3S2 MolecularWeight: 388.29986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CCCC2=CC=C(S2)Br

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CCCC2=CC=C(S2)Br

InChI

InChI=1S/C14H14BrNO3S2/c1-19-14(18)13-10(7-8-20-13)16-12(17)4-2-3-9-5-6-11(15)21-9/h5-8H,2-4H2,1H3,(H,16,17)