methyl 2-[2-[[4,5-bis(bromanyl)thiophen-2-yl]sulfonylamino]ethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[2-[[4,5-bis(bromanyl)thiophen-2-yl]sulfonylamino]ethanoylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[2-[(4,5-dibromo-2-thienyl)sulfonylamino]acetyl]amino]-4-methyl-pentanoate CAS Name: 2-[[2-[(4,5-dibromo-2-thiophenyl)sulfonylamino]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4,5-dibromothiophen-2-yl)sulfonylamino]acetyl]amino]-4-methylpentanoate Traditional Name: 2-[[2-[(4,5-dibromo-2-thienyl)sulfonylamino]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C13H18Br2N2O5S2 MolecularWeight: 506.23042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CNS(=O)(=O)C1=CC(=C(S1)Br)Br

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)CNS(=O)(=O)C1=CC(=C(S1)Br)Br

InChI

InChI=1S/C13H18Br2N2O5S2/c1-7(2)4-9(13(19)22-3)17-10(18)6-16-24(20,21)11-5-8(14)12(15)23-11/h5,7,9,16H,4,6H2,1-3H3,(H,17,18)