[(2S)-3-[(2-acetamido-6-bromanyl-3-ethoxycarbonyl-1-benzothiophen-7-yl)oxy]-2-oxidanyl-propyl]-cyclohexyl-azanium

Systemtic Name: [(2S)-3-[(2-acetamido-6-bromanyl-3-ethoxycarbonyl-1-benzothiophen-7-yl)oxy]-2-oxidanyl-propyl]-cyclohexyl-azanium Openeye Name: [(2S)-3-(2-acetamido-6-bromo-3-ethoxycarbonyl-benzothiophen-7-yl)oxy-2-hydroxy-propyl]-cyclohexyl-ammonium CAS Name: [(2S)-3-[(2-acetamido-6-bromo-3-ethoxycarbonyl-1-benzothiophen-7-yl)oxy]-2-hydroxypropyl]-cyclohexylammonium IUPAC Name: [(2S)-3-[(2-acetamido-6-bromo-3-ethoxycarbonyl-1-benzothiophen-7-yl)oxy]-2-hydroxypropyl]-cyclohexylazanium Traditional Name: [(2S)-3-(2-acetamido-6-bromo-3-carbethoxy-benzothiophen-7-yl)oxy-2-hydroxy-propyl]-cyclohexyl-ammonium Formula: C22H30BrN2O5S+ MolecularWeight: 514.453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2OCC(C[NH2+]C3CCCCC3)O)Br)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2OC[C@H](C[NH2+]C3CCCCC3)O)Br)NC(=O)C

InChI

InChI=1S/C22H29BrN2O5S/c1-3-29-22(28)18-16-9-10-17(23)19(20(16)31-21(18)25-13(2)26)30-12-15(27)11-24-14-7-5-4-6-8-14/h9-10,14-15,24,27H,3-8,11-12H2,1-2H3,(H,25,26)/p+1/t15-/m0/s1