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

Systemtic Name: [6-[[5-(cyclopropylcarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] butanoate Openeye Name: [6-[[5-(cyclopropanecarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxo-pyran-3-yl] butanoate CAS Name: butanoic 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] butanoate Traditional Name: butyric acid [6-[[[5-(cyclopropanecarbonylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-4-keto-pyran-3-yl] ester Formula: C16H17N3O5S2 MolecularWeight: 395.45328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5S2/c1-2-3-13(21)24-12-7-23-10(6-11(12)20)8-25-16-19-18-15(26-16)17-14(22)9-4-5-9/h6-7,9H,2-5,8H2,1H3,(H,17,18,22)