5-[2-[4,5-bis(bromanyl)thiophen-2-yl]carbonylhydrazinyl]-3,3-dimethyl-5-oxidanylidene-pentanoate

Systemtic Name: 5-[2-[4,5-bis(bromanyl)thiophen-2-yl]carbonylhydrazinyl]-3,3-dimethyl-5-oxidanylidene-pentanoate Openeye Name: 5-[2-(4,5-dibromothiophene-2-carbonyl)hydrazino]-3,3-dimethyl-5-oxo-pentanoate CAS Name: 5-[[(4,5-dibromo-2-thiophenyl)-oxomethyl]hydrazo]-3,3-dimethyl-5-oxopentanoate IUPAC Name: 5-[2-(4,5-dibromothiophene-2-carbonyl)hydrazinyl]-3,3-dimethyl-5-oxopentanoate Traditional Name: 5-[N'-(4,5-dibromothiophene-2-carbonyl)hydrazino]-5-keto-3,3-dimethyl-valerate Formula: C12H13Br2N2O4S- MolecularWeight: 441.11562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NNC(=O)C1=CC(=C(S1)Br)Br)CC(=O)[O-]

Isomeric SMILES

CC(C)(CC(=O)NNC(=O)C1=CC(=C(S1)Br)Br)CC(=O)[O-]

InChI

InChI=1S/C12H14Br2N2O4S/c1-12(2,5-9(18)19)4-8(17)15-16-11(20)7-3-6(13)10(14)21-7/h3H,4-5H2,1-2H3,(H,15,17)(H,16,20)(H,18,19)/p-1