[6-[[5-(cyclopropylcarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 2-ethylbutanoate

Systemtic Name: [6-[[5-(cyclopropylcarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 2-ethylbutanoate Openeye Name: [6-[[5-(cyclopropanecarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxo-pyran-3-yl] 2-ethylbutanoate CAS Name: 2-ethylbutanoic acid [6-[[[5-[[cyclopropyl(oxo)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]-4-oxo-3-pyranyl] ester IUPAC Name: [6-[[5-(cyclopropanecarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxopyran-3-yl] 2-ethylbutanoate Traditional Name: 2-ethylbutyric acid [6-[[[5-(cyclopropanecarbonylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-4-keto-pyran-3-yl] ester Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)OC1=COC(=CC1=O)CSC2=NN=C(S2)NC(=O)C3CC3

Isomeric SMILES

CCC(CC)C(=O)OC1=COC(=CC1=O)CSC2=NN=C(S2)NC(=O)C3CC3

InChI

InChI=1S/C18H21N3O5S2/c1-3-10(4-2)16(24)26-14-8-25-12(7-13(14)22)9-27-18-21-20-17(28-18)19-15(23)11-5-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,19,20,23)