methyl 4-[4-(5-bromanylthiophen-2-yl)butanoylamino]benzoate

Systemtic Name: methyl 4-[4-(5-bromanylthiophen-2-yl)butanoylamino]benzoate Openeye Name: methyl 4-[4-(5-bromo-2-thienyl)butanoylamino]benzoate CAS Name: 4-[[4-(5-bromo-2-thiophenyl)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(5-bromothiophen-2-yl)butanoylamino]benzoate Traditional Name: 4-[4-(5-bromo-2-thienyl)butanoylamino]benzoic acid methyl ester Formula: C16H16BrNO3S MolecularWeight: 382.27214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrNO3S/c1-21-16(20)11-5-7-12(8-6-11)18-15(19)4-2-3-13-9-10-14(17)22-13/h5-10H,2-4H2,1H3,(H,18,19)