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

Systemtic Name: (4-methoxyphenyl) 3-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoate Openeye Name: (4-methoxyphenyl) 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 (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 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 (4-methoxyphenyl) ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(=O)CCN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O

Isomeric SMILES

COC1=CC=C(C=C1)OC(=O)CCN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O

InChI

InChI=1S/C21H22N2O7S/c1-28-15-4-6-16(7-5-15)29-20(24)10-13-23-18-9-8-17(14-19(18)30-21(23)25)31(26,27)22-11-2-3-12-22/h4-9,14H,2-3,10-13H2,1H3