methyl 2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitro-benzoate

Systemtic Name: methyl 2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitro-benzoate Openeye Name: methyl 2-[[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitro-benzoate CAS Name: 2-[[5-(2-furanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitrobenzoate Traditional Name: 2-[[5-(2-furfurylamino)-1,3,4-thiadiazol-2-yl]thio]-5-nitro-benzoic acid methyl ester Formula: C15H12N4O5S2 MolecularWeight: 392.40958

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NN=C(S2)NCC3=CC=CO3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NN=C(S2)NCC3=CC=CO3

InChI

InChI=1S/C15H12N4O5S2/c1-23-13(20)11-7-9(19(21)22)4-5-12(11)25-15-18-17-14(26-15)16-8-10-3-2-6-24-10/h2-7H,8H2,1H3,(H,16,17)