diethyl 2-(2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)propanedioate

Systemtic Name: diethyl 2-(2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)propanedioate Openeye Name: diethyl 2-(2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)propanedioate CAS Name: 2-(2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)propanedioate Traditional Name: 2-(2-keto-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)malonic acid diethyl ester Formula: C14H21NO5S MolecularWeight: 315.38524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)N1C2CCCCC2SC1=O

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)N1C2CCCCC2SC1=O

InChI

InChI=1S/C14H21NO5S/c1-3-19-12(16)11(13(17)20-4-2)15-9-7-5-6-8-10(9)21-14(15)18/h9-11H,3-8H2,1-2H3