ethyl 4-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[5-(3-morpholinosulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[5-[3-(4-morpholinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-oxobutanoate Traditional Name: 3-keto-4-[[5-(3-morpholinosulfonylphenyl)-1,3,4-oxadiazol-2-yl]thio]butyric acid ethyl ester Formula: C18H21N3O7S2 MolecularWeight: 455.50524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NN=C(O1)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NN=C(O1)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H21N3O7S2/c1-2-27-16(23)11-14(22)12-29-18-20-19-17(28-18)13-4-3-5-15(10-13)30(24,25)21-6-8-26-9-7-21/h3-5,10H,2,6-9,11-12H2,1H3