5-[5-(5,6-dimethoxypyridin-3-yl)oxolan-2-yl]-3-[2-(phenylmethoxycarbonylamino)ethoxy]-2-propoxy-benzenesulfinate

Systemtic Name: 5-[5-(5,6-dimethoxypyridin-3-yl)oxolan-2-yl]-3-[2-(phenylmethoxycarbonylamino)ethoxy]-2-propoxy-benzenesulfinate Openeye Name: 3-[2-(benzyloxycarbonylamino)ethoxy]-5-[5-(5,6-dimethoxy-3-pyridyl)tetrahydrofuran-2-yl]-2-propoxy-benzenesulfinate CAS Name: 5-[5-(5,6-dimethoxy-3-pyridinyl)-2-oxolanyl]-3-[2-(phenylmethoxycarbonylamino)ethoxy]-2-propoxybenzenesulfinate IUPAC Name: 5-[5-(5,6-dimethoxypyridin-3-yl)oxolan-2-yl]-3-[2-(phenylmethoxycarbonylamino)ethoxy]-2-propoxybenzenesulfinate Traditional Name: 3-[2-(benzyloxycarbonylamino)ethoxy]-5-[5-(5,6-dimethoxy-3-pyridyl)tetrahydrofuran-2-yl]-2-propoxy-benzenesulfinate Formula: C30H35N2O9S- MolecularWeight: 599.6719

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1S(=O)[O-])C2CCC(O2)C3=CC(=C(N=C3)OC)OC)OCCNC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCOC1=C(C=C(C=C1S(=O)[O-])C2CCC(O2)C3=CC(=C(N=C3)OC)OC)OCCNC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H36N2O9S/c1-4-13-39-28-25(38-14-12-31-30(33)40-19-20-8-6-5-7-9-20)15-21(17-27(28)42(34)35)23-10-11-24(41-23)22-16-26(36-2)29(37-3)32-18-22/h5-9,15-18,23-24H,4,10-14,19H2,1-3H3,(H,31,33)(H,34,35)/p-1