methyl 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoylamino]-5-morpholin-4-yl-benzoate

Systemtic Name: methyl 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoylamino]-5-morpholin-4-yl-benzoate Openeye Name: methyl 2-[[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetyl]amino]-5-morpholino-benzoate CAS Name: 2-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]amino]-5-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-5-morpholin-4-ylbenzoate Traditional Name: 2-[[2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetyl]amino]-5-morpholino-benzoic acid methyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)NC2=C(C=C(C=C2)N3CCOCC3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)NC2=C(C=C(C=C2)N3CCOCC3)C(=O)OC

InChI

InChI=1S/C20H25N3O5S/c1-13-17(14(2)28-22-13)11-29-12-19(24)21-18-5-4-15(10-16(18)20(25)26-3)23-6-8-27-9-7-23/h4-5,10H,6-9,11-12H2,1-3H3,(H,21,24)