(4,8-dimethyl-2-oxidanylidene-chromen-7-yl) (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (4,8-dimethyl-2-oxidanylidene-chromen-7-yl) (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (4,8-dimethyl-2-oxo-chromen-7-yl) (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-fluorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid (4,8-dimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4,8-dimethyl-2-oxochromen-7-yl) (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid (2-keto-4,8-dimethyl-chromen-7-yl) ester Formula: C22H20FNO6S MolecularWeight: 445.460703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H20FNO6S/c1-13-12-20(25)30-21-14(2)19(10-9-17(13)21)29-22(26)18-4-3-11-24(18)31(27,28)16-7-5-15(23)6-8-16/h5-10,12,18H,3-4,11H2,1-2H3/t18-/m0/s1