ethyl 3-[methylsulfonyl-[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoyl]amino]benzoate

Systemtic Name: ethyl 3-[methylsulfonyl-[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoyl]amino]benzoate Openeye Name: ethyl 3-[methylsulfonyl-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]amino]benzoate CAS Name: 3-[methylsulfonyl-[1-oxo-3-(2-oxo-1,3-benzoxazol-3-yl)propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[methylsulfonyl-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]amino]benzoate Traditional Name: 3-[3-(2-keto-1,3-benzoxazol-3-yl)propanoyl-mesyl-amino]benzoic acid ethyl ester Formula: C20H20N2O7S MolecularWeight: 432.447

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N(C(=O)CCN2C3=CC=CC=C3OC2=O)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N(C(=O)CCN2C3=CC=CC=C3OC2=O)S(=O)(=O)C

InChI

InChI=1S/C20H20N2O7S/c1-3-28-19(24)14-7-6-8-15(13-14)22(30(2,26)27)18(23)11-12-21-16-9-4-5-10-17(16)29-20(21)25/h4-10,13H,3,11-12H2,1-2H3