methyl 2-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[[(E)-3-(5-nitro-2-furyl)prop-2-enoyl]amino]thiazole-5-carboxylate CAS Name: 2-[[(E)-3-(5-nitro-2-furanyl)-1-oxoprop-2-enyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[[(E)-3-(5-nitro-2-furyl)acryloyl]amino]thiazole-5-carboxylic acid methyl ester Formula: C12H9N3O6S MolecularWeight: 323.28136

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(S1)NC(=O)C=CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CN=C(S1)NC(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O6S/c1-20-11(17)8-6-13-12(22-8)14-9(16)4-2-7-3-5-10(21-7)15(18)19/h2-6H,1H3,(H,13,14,16)/b4-2+