tert-butyl 5-(cyano-morpholin-4-yl-thiophen-3-yl-methyl)-2-methyl-4-nitro-imidazole-1-carboxylate

Systemtic Name: tert-butyl 5-(cyano-morpholin-4-yl-thiophen-3-yl-methyl)-2-methyl-4-nitro-imidazole-1-carboxylate Openeye Name: tert-butyl 5-[cyano-morpholino-(3-thienyl)methyl]-2-methyl-4-nitro-imidazole-1-carboxylate CAS Name: 5-[cyano-(4-morpholinyl)-(3-thiophenyl)methyl]-2-methyl-4-nitro-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(cyano-morpholin-4-yl-thiophen-3-ylmethyl)-2-methyl-4-nitroimidazole-1-carboxylate Traditional Name: 5-[cyano-morpholino-(3-thienyl)methyl]-2-methyl-4-nitro-imidazole-1-carboxylic acid tert-butyl ester Formula: C19H23N5O5S MolecularWeight: 433.48142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1C(=O)OC(C)(C)C)C(C#N)(C2=CSC=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1C(=O)OC(C)(C)C)C(C#N)(C2=CSC=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O5S/c1-13-21-16(24(26)27)15(23(13)17(25)29-18(2,3)4)19(12-20,14-5-10-30-11-14)22-6-8-28-9-7-22/h5,10-11H,6-9H2,1-4H3