ethyl 3-[3-(5-bromanylthiophen-2-yl)sulfonylpropanoylamino]benzoate

Systemtic Name: ethyl 3-[3-(5-bromanylthiophen-2-yl)sulfonylpropanoylamino]benzoate Openeye Name: ethyl 3-[3-[(5-bromo-2-thienyl)sulfonyl]propanoylamino]benzoate CAS Name: 3-[[3-[(5-bromo-2-thiophenyl)sulfonyl]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(5-bromothiophen-2-yl)sulfonylpropanoylamino]benzoate Traditional Name: 3-[3-[(5-bromo-2-thienyl)sulfonyl]propanoylamino]benzoic acid ethyl ester Formula: C16H16BrNO5S2 MolecularWeight: 446.33594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCS(=O)(=O)C2=CC=C(S2)Br

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCS(=O)(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C16H16BrNO5S2/c1-2-23-16(20)11-4-3-5-12(10-11)18-14(19)8-9-25(21,22)15-7-6-13(17)24-15/h3-7,10H,2,8-9H2,1H3,(H,18,19)