butyl 2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: butyl 2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: butyl 2-[[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-furanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(2-furfurylamino)-1,3,4-thiadiazol-2-yl]thio]acetic acid butyl ester Formula: C13H17N3O3S2 MolecularWeight: 327.42238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NN=C(S1)NCC2=CC=CO2

Isomeric SMILES

CCCCOC(=O)CSC1=NN=C(S1)NCC2=CC=CO2

InChI

InChI=1S/C13H17N3O3S2/c1-2-3-6-19-11(17)9-20-13-16-15-12(21-13)14-8-10-5-4-7-18-10/h4-5,7H,2-3,6,8-9H2,1H3,(H,14,15)