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

Systemtic Name: (2,3,6-trimethylphenyl) 3-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoate Openeye Name: (2,3,6-trimethylphenyl) 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 (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 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 (2,3,6-trimethylphenyl) ester Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O6S/c1-15-6-7-16(2)22(17(15)3)31-21(26)10-13-25-19-9-8-18(14-20(19)30-23(25)27)32(28,29)24-11-4-5-12-24/h6-9,14H,4-5,10-13H2,1-3H3