methyl 5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C14H10N2O5S2 MolecularWeight: 350.3696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O5S2/c1-20-13(17)11-5-3-9(21-11)7-22-14-15-10-4-2-8(16(18)19)6-12(10)23-14/h2-6H,7H2,1H3