ethyl 6-[5-(4-methylsulfonyl-3-pyrrol-1-yl-thiophen-2-yl)-2-oxidanylidene-1,3,4-oxadiazol-3-yl]hexanoate

Systemtic Name: ethyl 6-[5-(4-methylsulfonyl-3-pyrrol-1-yl-thiophen-2-yl)-2-oxidanylidene-1,3,4-oxadiazol-3-yl]hexanoate Openeye Name: ethyl 6-[5-(4-methylsulfonyl-3-pyrrol-1-yl-2-thienyl)-2-oxo-1,3,4-oxadiazol-3-yl]hexanoate CAS Name: 6-[5-[4-methylsulfonyl-3-(1-pyrrolyl)-2-thiophenyl]-2-oxo-1,3,4-oxadiazol-3-yl]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[5-(4-methylsulfonyl-3-pyrrol-1-ylthiophen-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]hexanoate Traditional Name: 6-[2-keto-5-(4-mesyl-3-pyrrol-1-yl-2-thienyl)-1,3,4-oxadiazol-3-yl]hexanoic acid ethyl ester Formula: C19H23N3O6S2 MolecularWeight: 453.53242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCN1C(=O)OC(=N1)C2=C(C(=CS2)S(=O)(=O)C)N3C=CC=C3

Isomeric SMILES

CCOC(=O)CCCCCN1C(=O)OC(=N1)C2=C(C(=CS2)S(=O)(=O)C)N3C=CC=C3

InChI

InChI=1S/C19H23N3O6S2/c1-3-27-15(23)9-5-4-6-12-22-19(24)28-18(20-22)17-16(21-10-7-8-11-21)14(13-29-17)30(2,25)26/h7-8,10-11,13H,3-6,9,12H2,1-2H3