tert-butyl N-[(1S,2R)-2-nitro-1-thiophen-2-yl-propyl]carbamate

Systemtic Name: tert-butyl N-[(1S,2R)-2-nitro-1-thiophen-2-yl-propyl]carbamate Openeye Name: tert-butyl N-[(1S,2R)-2-nitro-1-(2-thienyl)propyl]carbamate CAS Name: N-[(1S,2R)-2-nitro-1-thiophen-2-ylpropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1S,2R)-2-nitro-1-thiophen-2-ylpropyl]carbamate Traditional Name: N-[(1S,2R)-2-nitro-1-(2-thienyl)propyl]carbamic acid tert-butyl ester Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)NC(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]([C@@H](C1=CC=CS1)NC(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C12H18N2O4S/c1-8(14(16)17)10(9-6-5-7-19-9)13-11(15)18-12(2,3)4/h5-8,10H,1-4H3,(H,13,15)/t8-,10+/m1/s1