2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 5-(oxidanylcarbamothioylamino)-5-oxidanylidene-pentanoate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 5-(oxidanylcarbamothioylamino)-5-oxidanylidene-pentanoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 5-(hydroxycarbamothioylamino)-5-oxo-pentanoate CAS Name: 5-[[(hydroxyamino)-sulfanylidenemethyl]amino]-5-oxopentanoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 5-(hydroxycarbamothioylamino)-5-oxopentanoate Traditional Name: 5-(hydroxythiocarbamoylamino)-5-keto-valeric acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C12H17N5O6S MolecularWeight: 359.35828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)CCCC(=O)NC(=S)NO)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)CCCC(=O)NC(=S)NO)[N+](=O)[O-]

InChI

InChI=1S/C12H17N5O6S/c1-8-13-7-10(17(21)22)16(8)5-6-23-11(19)4-2-3-9(18)14-12(24)15-20/h7,20H,2-6H2,1H3,(H2,14,15,18,24)