methyl 4-[2,2-dimethyl-3-oxidanyl-6-(trifluoromethylsulfanyl)chromen-4-yl]-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: methyl 4-[2,2-dimethyl-3-oxidanyl-6-(trifluoromethylsulfanyl)chromen-4-yl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: methyl 4-[3-hydroxy-2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[3-hydroxy-2,2-dimethyl-6-(trifluoromethylthio)-1-benzopyran-4-yl]-3-oxo-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-hydroxy-2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]-3-oxopiperazine-1-carboxylate Traditional Name: 4-[3-hydroxy-2,2-dimethyl-6-(trifluoromethylthio)chromen-4-yl]-3-keto-piperazine-1-carboxylic acid methyl ester Formula: C18H19F3N2O5S MolecularWeight: 432.41407

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C2=C(O1)C=CC(=C2)SC(F)(F)F)N3CCN(CC3=O)C(=O)OC)O)C

Isomeric SMILES

CC1(C(=C(C2=C(O1)C=CC(=C2)SC(F)(F)F)N3CCN(CC3=O)C(=O)OC)O)C

InChI

InChI=1S/C18H19F3N2O5S/c1-17(2)15(25)14(23-7-6-22(9-13(23)24)16(26)27-3)11-8-10(29-18(19,20)21)4-5-12(11)28-17/h4-5,8,25H,6-7,9H2,1-3H3