methyl 4-[5-(tert-butylamino)-4-nitro-thiophen-2-yl]-3-methyl-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[5-(tert-butylamino)-4-nitro-thiophen-2-yl]-3-methyl-4-oxidanylidene-butanoate Openeye Name: methyl 4-[5-(tert-butylamino)-4-nitro-2-thienyl]-3-methyl-4-oxo-butanoate CAS Name: 4-[5-(tert-butylamino)-4-nitro-2-thiophenyl]-3-methyl-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[5-(tert-butylamino)-4-nitrothiophen-2-yl]-3-methyl-4-oxobutanoate Traditional Name: 4-[5-(tert-butylamino)-4-nitro-2-thienyl]-4-keto-3-methyl-butyric acid methyl ester Formula: C14H20N2O5S MolecularWeight: 328.384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)C(=O)C1=CC(=C(S1)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(CC(=O)OC)C(=O)C1=CC(=C(S1)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O5S/c1-8(6-11(17)21-5)12(18)10-7-9(16(19)20)13(22-10)15-14(2,3)4/h7-8,15H,6H2,1-5H3