methyl 2-[(5-bromanylthiophen-2-yl)sulfonyl-(2-ethylbutyl)amino]ethanoate

Systemtic Name: methyl 2-[(5-bromanylthiophen-2-yl)sulfonyl-(2-ethylbutyl)amino]ethanoate Openeye Name: methyl 2-[(5-bromo-2-thienyl)sulfonyl-(2-ethylbutyl)amino]acetate CAS Name: 2-[(5-bromo-2-thiophenyl)sulfonyl-(2-ethylbutyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[(5-bromothiophen-2-yl)sulfonyl-(2-ethylbutyl)amino]acetate Traditional Name: 2-[(5-bromo-2-thienyl)sulfonyl-(2-ethylbutyl)amino]acetic acid methyl ester Formula: C13H20BrNO4S2 MolecularWeight: 398.3362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CN(CC(=O)OC)S(=O)(=O)C1=CC=C(S1)Br

Isomeric SMILES

CCC(CC)CN(CC(=O)OC)S(=O)(=O)C1=CC=C(S1)Br

InChI

InChI=1S/C13H20BrNO4S2/c1-4-10(5-2)8-15(9-12(16)19-3)21(17,18)13-7-6-11(14)20-13/h6-7,10H,4-5,8-9H2,1-3H3