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

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2-[2-[2-[2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-2-oxidanylidene-ethoxy]ethanoylcarbamothioylamino]-2-oxidanylidene-ethoxy]ethanoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2-[2-[[2-[2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-2-oxo-ethoxy]acetyl]carbamothioylamino]-2-oxo-ethoxy]acetate CAS Name: 2-[2-[[[[2-[2-[2-(2-methyl-5-nitro-1-imidazolyl)ethoxy]-2-oxoethoxy]-1-oxoethyl]amino]-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-[[2-[2-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]-2-oxoethoxy]acetyl]carbamothioylamino]-2-oxoethoxy]acetate Traditional Name: 2-[2-keto-2-[[2-[2-keto-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]ethoxy]acetyl]thiocarbamoylamino]ethoxy]acetic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C21H26N8O12S MolecularWeight: 614.54254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)COCC(=O)NC(=S)NC(=O)COCC(=O)OCCN2C(=NC=C2[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)COCC(=O)NC(=S)NC(=O)COCC(=O)OCCN2C(=NC=C2[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C21H26N8O12S/c1-13-22-7-17(28(34)35)26(13)3-5-40-19(32)11-38-9-15(30)24-21(42)25-16(31)10-39-12-20(33)41-6-4-27-14(2)23-8-18(27)29(36)37/h7-8H,3-6,9-12H2,1-2H3,(H2,24,25,30,31,42)