9-[4-(1,3-benzodioxol-5-yl)-6-phenyl-pyridin-2-yl]oxy-3-ethyl-2,2-bis(2-sulfanylethanoyl)nonanoate

Systemtic Name: 9-[4-(1,3-benzodioxol-5-yl)-6-phenyl-pyridin-2-yl]oxy-3-ethyl-2,2-bis(2-sulfanylethanoyl)nonanoate Openeye Name: 9-[[4-(1,3-benzodioxol-5-yl)-6-phenyl-2-pyridyl]oxy]-3-ethyl-2,2-bis(2-sulfanylacetyl)nonanoate CAS Name: 9-[[4-(1,3-benzodioxol-5-yl)-6-phenyl-2-pyridinyl]oxy]-3-ethyl-2,2-bis(2-mercapto-1-oxoethyl)nonanoate IUPAC Name: 9-[4-(1,3-benzodioxol-5-yl)-6-phenylpyridin-2-yl]oxy-3-ethyl-2,2-bis(2-sulfanylacetyl)nonanoate Traditional Name: 9-[[4-(1,3-benzodioxol-5-yl)-6-phenyl-2-pyridyl]oxy]-3-ethyl-2,2-bis(2-mercaptoacetyl)pelargonate Formula: C33H36NO7S2- MolecularWeight: 622.77144

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCCCOC1=CC(=CC(=N1)C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)C(C(=O)CS)(C(=O)CS)C(=O)[O-]

Isomeric SMILES

CCC(CCCCCCOC1=CC(=CC(=N1)C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)C(C(=O)CS)(C(=O)CS)C(=O)[O-]

InChI

InChI=1S/C33H37NO7S2/c1-2-25(33(32(37)38,29(35)19-42)30(36)20-43)12-8-3-4-9-15-39-31-18-24(16-26(34-31)22-10-6-5-7-11-22)23-13-14-27-28(17-23)41-21-40-27/h5-7,10-11,13-14,16-18,25,42-43H,2-4,8-9,12,15,19-21H2,1H3,(H,37,38)/p-1