[4-(ethylcarbamoyl)-2-(4-methylphenyl)-3,3-bis(oxidanylidene)-3$l^{6}-thia-4-azaspiro[4.5]dec-1-en-1-yl]methyl 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [4-(ethylcarbamoyl)-2-(4-methylphenyl)-3,3-bis(oxidanylidene)-3$l^{6}-thia-4-azaspiro[4.5]dec-1-en-1-yl]methyl 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [4-(ethylcarbamoyl)-3,3-dioxo-2-(p-tolyl)-3$l^{6}-thia-4-azaspiro[4.5]dec-1-en-1-yl]methyl 2,2,2-trifluoroacetate CAS Name: 2,2,2-trifluoroacetic acid [4-(ethylcarbamoyl)-2-(4-methylphenyl)-3,3-dioxo-3$l^{6}-thia-4-azaspiro[4.5]dec-1-en-1-yl]methyl ester IUPAC Name: [4-(ethylcarbamoyl)-2-(4-methylphenyl)-3,3-dioxo-3$l^{6}-thia-4-azaspiro[4.5]dec-1-en-1-yl]methyl 2,2,2-trifluoroacetate Traditional Name: 2,2,2-trifluoroacetic acid [4-(ethylcarbamoyl)-3,3-diketo-2-(p-tolyl)-3$l^{6}-thia-4-azaspiro[4.5]dec-1-en-1-yl]methyl ester Formula: C21H25F3N2O5S MolecularWeight: 474.49381

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1C2(CCCCC2)C(=C(S1(=O)=O)C3=CC=C(C=C3)C)COC(=O)C(F)(F)F

Isomeric SMILES

CCNC(=O)N1C2(CCCCC2)C(=C(S1(=O)=O)C3=CC=C(C=C3)C)COC(=O)C(F)(F)F

InChI

InChI=1S/C21H25F3N2O5S/c1-3-25-19(28)26-20(11-5-4-6-12-20)16(13-31-18(27)21(22,23)24)17(32(26,29)30)15-9-7-14(2)8-10-15/h7-10H,3-6,11-13H2,1-2H3,(H,25,28)