cyclohexylazanium; 2-[3-ethyl-2-(2-methyl-5-nitro-phenyl)imino-4-oxidanylidene-1,3-thiazolidin-5-yl]ethanoate

Systemtic Name: cyclohexylazanium; 2-[3-ethyl-2-(2-methyl-5-nitro-phenyl)imino-4-oxidanylidene-1,3-thiazolidin-5-yl]ethanoate Openeye Name: cyclohexylammonium; 2-[3-ethyl-2-(2-methyl-5-nitro-phenyl)imino-4-oxo-thiazolidin-5-yl]acetate CAS Name: cyclohexylammonium; 2-[3-ethyl-2-(2-methyl-5-nitrophenyl)imino-4-oxo-5-thiazolidinyl]acetate IUPAC Name: cyclohexylazanium; 2-[3-ethyl-2-(2-methyl-5-nitrophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetate Traditional Name: cyclohexylammonium; 2-[3-ethyl-4-keto-2-(2-methyl-5-nitro-phenyl)imino-thiazolidin-5-yl]acetate Formula: C20H28N4O5S MolecularWeight: 436.52512

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(SC1=NC2=C(C=CC(=C2)[N+](=O)[O-])C)CC(=O)[O-].C1CCC(CC1)[NH3+]

Isomeric SMILES

CCN1C(=O)C(SC1=NC2=C(C=CC(=C2)[N+](=O)[O-])C)CC(=O)[O-].C1CCC(CC1)[NH3+]

InChI

InChI=1S/C14H15N3O5S.C6H13N/c1-3-16-13(20)11(7-12(18)19)23-14(16)15-10-6-9(17(21)22)5-4-8(10)2;7-6-4-2-1-3-5-6/h4-6,11H,3,7H2,1-2H3,(H,18,19);6H,1-5,7H2