3-[2-(4-ethoxy-3-fluoranyl-phenyl)-2-oxidanylidene-ethyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one

Systemtic Name: 3-[2-(4-ethoxy-3-fluoranyl-phenyl)-2-oxidanylidene-ethyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one Openeye Name: 3-[2-(4-ethoxy-3-fluoro-phenyl)-2-oxo-ethyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one CAS Name: 3-[2-(4-ethoxy-3-fluorophenyl)-2-oxoethyl]-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-2-one IUPAC Name: 3-[2-(4-ethoxy-3-fluorophenyl)-2-oxoethyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one Traditional Name: 3-[2-(4-ethoxy-3-fluoro-phenyl)-2-keto-ethyl]-6-pyrrolidinosulfonyl-1,3-benzoxazol-2-one Formula: C21H21FN2O6S MolecularWeight: 448.464643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O)F

InChI

InChI=1S/C21H21FN2O6S/c1-2-29-19-8-5-14(11-16(19)22)18(25)13-24-17-7-6-15(12-20(17)30-21(24)26)31(27,28)23-9-3-4-10-23/h5-8,11-12H,2-4,9-10,13H2,1H3