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

Systemtic Name: [4-oxidanylidene-6-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyran-3-yl] 2-iodanylbenzoate Openeye Name: [4-oxo-6-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyran-3-yl] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [4-oxo-6-[[[5-(1-oxopropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-pyranyl] ester IUPAC Name: [4-oxo-6-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyran-3-yl] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [4-keto-6-[[(5-propionamido-1,3,4-thiadiazol-2-yl)thio]methyl]pyran-3-yl] ester Formula: C18H14IN3O5S2 MolecularWeight: 543.35533

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NN=C(S1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=CC=C3I

Isomeric SMILES

CCC(=O)NC1=NN=C(S1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=CC=C3I

InChI

InChI=1S/C18H14IN3O5S2/c1-2-15(24)20-17-21-22-18(29-17)28-9-10-7-13(23)14(8-26-10)27-16(25)11-5-3-4-6-12(11)19/h3-8H,2,9H2,1H3,(H,20,21,24)