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

Systemtic Name: methyl 5-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C12H15N3O3S2 MolecularWeight: 313.3958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NN=C(S1)SCC2=CC=C(O2)C(=O)OC

Isomeric SMILES

CC(C)NC1=NN=C(S1)SCC2=CC=C(O2)C(=O)OC

InChI

InChI=1S/C12H15N3O3S2/c1-7(2)13-11-14-15-12(20-11)19-6-8-4-5-9(18-8)10(16)17-3/h4-5,7H,6H2,1-3H3,(H,13,14)