ethyl 3-[furan-2-ylmethyl-[5-nitro-6-(4-sulfamoylphenoxy)pyrimidin-4-yl]amino]propanoate

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-(4-sulfamoylphenoxy)pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[5-nitro-6-(4-sulfamoylphenoxy)pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[5-nitro-6-(4-sulfamoylphenoxy)-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-(4-sulfamoylphenoxy)pyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[5-nitro-6-(4-sulfamoylphenoxy)pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C20H21N5O8S MolecularWeight: 491.47444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O8S/c1-2-31-17(26)9-10-24(12-15-4-3-11-32-15)19-18(25(27)28)20(23-13-22-19)33-14-5-7-16(8-6-14)34(21,29)30/h3-8,11,13H,2,9-10,12H2,1H3,(H2,21,29,30)