ethyl 2-(6-nitro-2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: ethyl 2-(6-nitro-2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)ethanoate Openeye Name: ethyl 2-(6-nitro-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)acetate CAS Name: 2-(6-nitro-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(6-nitro-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(2-keto-6-nitro-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)acetic acid ethyl ester Formula: C11H16N2O5S MolecularWeight: 288.32014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2CCC(CC2SC1=O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN1C2CCC(CC2SC1=O)[N+](=O)[O-]

InChI

InChI=1S/C11H16N2O5S/c1-2-18-10(14)6-12-8-4-3-7(13(16)17)5-9(8)19-11(12)15/h7-9H,2-6H2,1H3