(1S,2S)-N-diphenylphosphoryl-2-nitro-1-thiophen-2-yl-butan-1-amine

Systemtic Name: (1S,2S)-N-diphenylphosphoryl-2-nitro-1-thiophen-2-yl-butan-1-amine Openeye Name: (1S,2S)-N-diphenylphosphoryl-2-nitro-1-(2-thienyl)butan-1-amine CAS Name: (1S,2S)-N-diphenylphosphoryl-2-nitro-1-thiophen-2-yl-1-butanamine IUPAC Name: (1S,2S)-N-diphenylphosphoryl-2-nitro-1-thiophen-2-ylbutan-1-amine Traditional Name: diphenylphosphoryl-[(1S,2S)-2-nitro-1-(2-thienyl)butyl]amine Formula: C20H21N2O3PS MolecularWeight: 400.431101

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=CS1)NP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC[C@@H]([C@@H](C1=CC=CS1)NP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N2O3PS/c1-2-18(22(23)24)20(19-14-9-15-27-19)21-26(25,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-15,18,20H,2H2,1H3,(H,21,25)/t18-,20-/m0/s1