ethyl 3-(1,3-benzothiazol-2-ylsulfanyl)-2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-ylsulfanyl)-2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-ylsulfanyl)-2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-5-oxo-furan-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-ylthio)-2-[(1,3-benzothiazol-2-ylthio)methyl]-4-hydroxy-5-oxo-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-ylsulfanyl)-2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-5-oxofuran-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-2-[(1,3-benzothiazol-2-ylthio)methyl]-4-hydroxy-5-keto-furan-2-carboxylic acid ethyl ester Formula: C22H16N2O5S4 MolecularWeight: 516.63284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(=C(C(=O)O1)O)SC2=NC3=CC=CC=C3S2)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)C1(C(=C(C(=O)O1)O)SC2=NC3=CC=CC=C3S2)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H16N2O5S4/c1-2-28-19(27)22(11-30-20-23-12-7-3-5-9-14(12)31-20)17(16(25)18(26)29-22)33-21-24-13-8-4-6-10-15(13)32-21/h3-10,25H,2,11H2,1H3