(phenylmethyl) N-[(2S)-6-nitro-1-oxidanylidene-1-(1,3-thiazolidin-3-yl)hexan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-6-nitro-1-oxidanylidene-1-(1,3-thiazolidin-3-yl)hexan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-5-nitro-1-(thiazolidine-3-carbonyl)pentyl]carbamate CAS Name: N-[(2S)-6-nitro-1-oxo-1-(3-thiazolidinyl)hexan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-6-nitro-1-oxo-1-(1,3-thiazolidin-3-yl)hexan-2-yl]carbamate Traditional Name: N-[(1S)-5-nitro-1-(thiazolidine-3-carbonyl)pentyl]carbamic acid benzyl ester Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCN1C(=O)C(CCCC[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CSCN1C(=O)[C@H](CCCC[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H23N3O5S/c21-16(19-10-11-26-13-19)15(8-4-5-9-20(23)24)18-17(22)25-12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,18,22)/t15-/m0/s1