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

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2-[2-(carbamothioylamino)-2-oxidanylidene-ethoxy]ethanoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2-[2-(carbamothioylamino)-2-oxo-ethoxy]acetate CAS Name: 2-[2-(carbamothioylamino)-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-(carbamothioylamino)-2-oxoethoxy]acetate Traditional Name: 2-(2-keto-2-thioureido-ethoxy)acetic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C11H15N5O6S MolecularWeight: 345.3317

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N5O6S/c1-7-13-4-9(16(19)20)15(7)2-3-22-10(18)6-21-5-8(17)14-11(12)23/h4H,2-3,5-6H2,1H3,(H3,12,14,17,23)