4-[[4-methyl-5-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[4-methyl-5-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[4-methyl-5-(5-nitro-2-furyl)thiazol-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[4-methyl-5-(5-nitro-2-furanyl)-2-thiazolyl]amino]-4-oxobutanoate IUPAC Name: 4-[[4-methyl-5-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[4-methyl-5-(5-nitro-2-furyl)thiazol-2-yl]amino]butyrate Formula: C12H10N3O6S- MolecularWeight: 324.2893

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CCC(=O)[O-])C2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CCC(=O)[O-])C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O6S/c1-6-11(7-2-4-9(21-7)15(19)20)22-12(13-6)14-8(16)3-5-10(17)18/h2,4H,3,5H2,1H3,(H,17,18)(H,13,14,16)/p-1