(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C19H19N3O6S2 MolecularWeight: 449.50066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC3=NOC(=N3)C4=CSC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC3=NOC(=N3)C4=CSC=C4

InChI

InChI=1S/C19H19N3O6S2/c1-13-2-3-15(30(24,25)22-5-7-26-8-6-22)10-16(13)19(23)27-11-17-20-18(28-21-17)14-4-9-29-12-14/h2-4,9-10,12H,5-8,11H2,1H3