(2,4-dimethylphenyl) 3-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoate

Systemtic Name: (2,4-dimethylphenyl) 3-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoate Openeye Name: (2,4-dimethylphenyl) 3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoate CAS Name: 3-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3-yl]propanoic acid (2,4-dimethylphenyl) ester IUPAC Name: (2,4-dimethylphenyl) 3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoate Traditional Name: 3-(2-keto-6-pyrrolidinosulfonyl-1,3-benzoxazol-3-yl)propionic acid (2,4-dimethylphenyl) ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)CCN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)CCN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O)C

InChI

InChI=1S/C22H24N2O6S/c1-15-5-8-19(16(2)13-15)29-21(25)9-12-24-18-7-6-17(14-20(18)30-22(24)26)31(27,28)23-10-3-4-11-23/h5-8,13-14H,3-4,9-12H2,1-2H3