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

Systemtic Name: methyl 3-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C13H17N3O3S2 MolecularWeight: 327.42238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SCC2=C(OC=C2)C(=O)OC

Isomeric SMILES

CCCCNC1=NN=C(S1)SCC2=C(OC=C2)C(=O)OC

InChI

InChI=1S/C13H17N3O3S2/c1-3-4-6-14-12-15-16-13(21-12)20-8-9-5-7-19-10(9)11(17)18-2/h5,7H,3-4,6,8H2,1-2H3,(H,14,15)