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

Systemtic Name: [4-oxidanylidene-6-[[5-(thiophen-2-ylcarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyran-3-yl] 4-methoxybenzoate Openeye Name: [4-oxo-6-[[5-(thiophene-2-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyran-3-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic 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] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-keto-6-[[[5-(2-thenoylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]pyran-3-yl] ester Formula: C21H15N3O6S3 MolecularWeight: 501.5553

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NN=C(S3)NC(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NN=C(S3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H15N3O6S3/c1-28-13-6-4-12(5-7-13)19(27)30-16-10-29-14(9-15(16)25)11-32-21-24-23-20(33-21)22-18(26)17-3-2-8-31-17/h2-10H,11H2,1H3,(H,22,23,26)