1,3-benzothiazol-2-ylmethyl 5-nitrofuran-2-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 5-nitrofuran-2-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C13H8N2O5S MolecularWeight: 304.27802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C13H8N2O5S/c16-13(9-5-6-12(20-9)15(17)18)19-7-11-14-8-3-1-2-4-10(8)21-11/h1-6H,7H2