(5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[3-(1-methoxypropyl)-2,5-dimethyl-4-methylsulfonyl-phenyl]methanone

Systemtic Name: (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[3-(1-methoxypropyl)-2,5-dimethyl-4-methylsulfonyl-phenyl]methanone Openeye Name: (5-cyclopropyl-3-methylsulfanyl-isoxazol-4-yl)-[3-(1-methoxypropyl)-2,5-dimethyl-4-methylsulfonyl-phenyl]methanone CAS Name: [5-cyclopropyl-3-(methylthio)-4-isoxazolyl]-[3-(1-methoxypropyl)-2,5-dimethyl-4-methylsulfonylphenyl]methanone IUPAC Name: (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[3-(1-methoxypropyl)-2,5-dimethyl-4-methylsulfonylphenyl]methanone Traditional Name: [5-cyclopropyl-3-(methylthio)isoxazol-4-yl]-[4-mesyl-3-(1-methoxypropyl)-2,5-dimethyl-phenyl]methanone Formula: C21H27NO5S2 MolecularWeight: 437.57278

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=CC(=C1S(=O)(=O)C)C)C(=O)C2=C(ON=C2SC)C3CC3)C)OC

Isomeric SMILES

CCC(C1=C(C(=CC(=C1S(=O)(=O)C)C)C(=O)C2=C(ON=C2SC)C3CC3)C)OC

InChI

InChI=1S/C21H27NO5S2/c1-7-15(26-4)16-12(3)14(10-11(2)20(16)29(6,24)25)18(23)17-19(13-8-9-13)27-22-21(17)28-5/h10,13,15H,7-9H2,1-6H3