2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl]oxy-5-morpholin-4-ylsulfonyl-benzoic acid

Systemtic Name: 2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl]oxy-5-morpholin-4-ylsulfonyl-benzoic acid Openeye Name: 2-[1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethoxy]-5-morpholinosulfonyl-benzoic acid CAS Name: 2-[1-[(5-methyl-3-isoxazolyl)amino]-1-oxopropan-2-yl]oxy-5-(4-morpholinylsulfonyl)benzoic acid IUPAC Name: 2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]oxy-5-morpholin-4-ylsulfonylbenzoic acid Traditional Name: 2-[2-keto-1-methyl-2-[(5-methylisoxazol-3-yl)amino]ethoxy]-5-morpholinosulfonyl-benzoic acid Formula: C18H21N3O8S MolecularWeight: 439.43964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O

InChI

InChI=1S/C18H21N3O8S/c1-11-9-16(20-29-11)19-17(22)12(2)28-15-4-3-13(10-14(15)18(23)24)30(25,26)21-5-7-27-8-6-21/h3-4,9-10,12H,5-8H2,1-2H3,(H,23,24)(H,19,20,22)