2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2-[2-(oxidanylcarbamothioylamino)-2-oxidanylidene-ethoxy]ethanoate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2-[2-(oxidanylcarbamothioylamino)-2-oxidanylidene-ethoxy]ethanoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2-[2-(hydroxycarbamothioylamino)-2-oxo-ethoxy]acetate CAS Name: 2-[2-[[(hydroxyamino)-sulfanylidenemethyl]amino]-2-oxoethoxy]acetic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 2-[2-(hydroxycarbamothioylamino)-2-oxoethoxy]acetate Traditional Name: 2-[2-(hydroxythiocarbamoylamino)-2-keto-ethoxy]acetic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C11H15N5O7S MolecularWeight: 361.3311

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N5O7S/c1-7-12-4-9(16(20)21)15(7)2-3-23-10(18)6-22-5-8(17)13-11(24)14-19/h4,19H,2-3,5-6H2,1H3,(H2,13,14,17,24)