methyl 3-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 3-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[[5-(2-furanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[[5-(2-furfurylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C14H13N3O4S2 MolecularWeight: 351.40072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CO1)CSC2=NN=C(S2)NCC3=CC=CO3

Isomeric SMILES

COC(=O)C1=C(C=CO1)CSC2=NN=C(S2)NCC3=CC=CO3

InChI

InChI=1S/C14H13N3O4S2/c1-19-12(18)11-9(4-6-21-11)8-22-14-17-16-13(23-14)15-7-10-3-2-5-20-10/h2-6H,7-8H2,1H3,(H,15,16)