(4-nitrophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)-5-oxidanylidene-oxolane-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)-5-oxidanylidene-oxolane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)-5-oxo-tetrahydrofuran-2-carboxylate CAS Name: 2-(1,3-benzothiazol-2-ylthio)-5-oxo-2-oxolanecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)-5-oxooxolane-2-carboxylate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-5-keto-tetrahydrofuran-2-carboxylic acid (4-nitrobenzyl) ester Formula: C19H14N2O6S2 MolecularWeight: 430.45426

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1=O)(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(OC1=O)(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H14N2O6S2/c22-16-9-10-19(27-16,29-18-20-14-3-1-2-4-15(14)28-18)17(23)26-11-12-5-7-13(8-6-12)21(24)25/h1-8H,9-11H2