[1-[(2S)-3-[4-(1-benzothiophen-2-yl)piperidin-1-yl]-2-oxidanyl-propyl]sulfanyl-3-nitrooxy-propan-2-yl] nitrate

Systemtic Name: [1-[(2S)-3-[4-(1-benzothiophen-2-yl)piperidin-1-yl]-2-oxidanyl-propyl]sulfanyl-3-nitrooxy-propan-2-yl] nitrate Openeye Name: [1-[[(2S)-3-[4-(benzothiophen-2-yl)-1-piperidyl]-2-hydroxy-propyl]sulfanylmethyl]-2-nitrooxy-ethyl] nitrate CAS Name: nitric acid [1-[[(2S)-3-[4-(1-benzothiophen-2-yl)-1-piperidinyl]-2-hydroxypropyl]thio]-3-nitrooxypropan-2-yl] ester IUPAC Name: [1-[(2S)-3-[4-(1-benzothiophen-2-yl)piperidin-1-yl]-2-hydroxypropyl]sulfanyl-3-nitrooxypropan-2-yl] nitrate Traditional Name: nitric acid [1-[[[(2S)-3-[4-(benzothiophen-2-yl)piperidino]-2-hydroxy-propyl]thio]methyl]-2-nitrooxy-ethyl] ester Formula: C19H25N3O7S2 MolecularWeight: 471.5477

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC3=CC=CC=C3S2)CC(CSCC(CO[N+](=O)[O-])O[N+](=O)[O-])O

Isomeric SMILES

C1CN(CCC1C2=CC3=CC=CC=C3S2)C[C@@H](CSCC(CO[N+](=O)[O-])O[N+](=O)[O-])O

InChI

InChI=1S/C19H25N3O7S2/c23-16(12-30-13-17(29-22(26)27)11-28-21(24)25)10-20-7-5-14(6-8-20)19-9-15-3-1-2-4-18(15)31-19/h1-4,9,14,16-17,23H,5-8,10-13H2/t16-,17?/m0/s1