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

Systemtic Name: propyl 2-(6-nitro-2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)ethanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C12H18N2O5S MolecularWeight: 302.34672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O5S/c1-2-5-19-11(15)7-13-9-4-3-8(14(17)18)6-10(9)20-12(13)16/h8-10H,2-7H2,1H3