1,3-benzothiazol-2-ylmethyl 2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxidanylidene-cyclopentyl]ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxidanylidene-cyclopentyl]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxo-cyclopentyl]acetate CAS Name: 2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetate Traditional Name: 2-[(1S,2R,3S)-5-keto-3-methyl-2-(nitromethyl)cyclopentyl]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C(C1C[N+](=O)[O-])CC(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H]1CC(=O)[C@H]([C@@H]1C[N+](=O)[O-])CC(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H18N2O5S/c1-10-6-14(20)11(12(10)8-19(22)23)7-17(21)24-9-16-18-13-4-2-3-5-15(13)25-16/h2-5,10-12H,6-9H2,1H3/t10-,11-,12+/m0/s1