[4-oxidanylidene-6-[[5-(thiophen-2-ylcarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyran-3-yl] benzoate

Systemtic Name: [4-oxidanylidene-6-[[5-(thiophen-2-ylcarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyran-3-yl] benzoate Openeye Name: [4-oxo-6-[[5-(thiophene-2-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyran-3-yl] benzoate CAS Name: benzoic acid [4-oxo-6-[[[5-[[oxo(thiophen-2-yl)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]-3-pyranyl] ester IUPAC Name: [4-oxo-6-[[5-(thiophene-2-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyran-3-yl] benzoate Traditional Name: benzoic acid [4-keto-6-[[[5-(2-thenoylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]pyran-3-yl] ester Formula: C20H13N3O5S3 MolecularWeight: 471.52932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NN=C(S3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NN=C(S3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C20H13N3O5S3/c24-14-9-13(27-10-15(14)28-18(26)12-5-2-1-3-6-12)11-30-20-23-22-19(31-20)21-17(25)16-7-4-8-29-16/h1-10H,11H2,(H,21,22,25)