ethyl N-[3-(diethanoylamino)-1-methyl-4-nitro-pyrrol-2-yl]carbothioylcarbamate

Systemtic Name: ethyl N-[3-(diethanoylamino)-1-methyl-4-nitro-pyrrol-2-yl]carbothioylcarbamate Openeye Name: ethyl N-[3-(diacetylamino)-1-methyl-4-nitro-pyrrole-2-carbothioyl]carbamate CAS Name: N-[[3-(diacetylamino)-1-methyl-4-nitro-2-pyrrolyl]-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-(diacetylamino)-1-methyl-4-nitropyrrole-2-carbothioyl]carbamate Traditional Name: N-[3-(diacetylamino)-1-methyl-4-nitro-pyrrole-2-carbothioyl]carbamic acid ethyl ester Formula: C13H16N4O6S MolecularWeight: 356.35434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)C1=C(C(=CN1C)[N+](=O)[O-])N(C(=O)C)C(=O)C

Isomeric SMILES

CCOC(=O)NC(=S)C1=C(C(=CN1C)[N+](=O)[O-])N(C(=O)C)C(=O)C

InChI

InChI=1S/C13H16N4O6S/c1-5-23-13(20)14-12(24)11-10(16(7(2)18)8(3)19)9(17(21)22)6-15(11)4/h6H,5H2,1-4H3,(H,14,20,24)