methyl 4-[(3E)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4,5-bis(oxidanylidene)-3-[oxidanyl(pyridin-4-yl)methylidene]pyrrolidin-2-yl]benzoate

Systemtic Name: methyl 4-[(3E)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4,5-bis(oxidanylidene)-3-[oxidanyl(pyridin-4-yl)methylidene]pyrrolidin-2-yl]benzoate Openeye Name: methyl 4-[(3E)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-[hydroxy(4-pyridyl)methylene]-4,5-dioxo-pyrrolidin-2-yl]benzoate CAS Name: 4-[(3E)-1-[5-[(4-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-[hydroxy(pyridin-4-yl)methylidene]-4,5-dioxo-2-pyrrolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3E)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-[hydroxy(pyridin-4-yl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate Traditional Name: 4-[(3E)-1-[5-[(4-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-[hydroxy(4-pyridyl)methylene]-4,5-diketo-pyrrolidin-2-yl]benzoic acid methyl ester Formula: C27H19FN4O5S2 MolecularWeight: 562.591963

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(=C(C3=CC=NC=C3)O)C(=O)C(=O)N2C4=NN=C(S4)SCC5=CC=C(C=C5)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2/C(=C(/C3=CC=NC=C3)\O)/C(=O)C(=O)N2C4=NN=C(S4)SCC5=CC=C(C=C5)F

InChI

InChI=1S/C27H19FN4O5S2/c1-37-25(36)18-6-4-16(5-7-18)21-20(22(33)17-10-12-29-13-11-17)23(34)24(35)32(21)26-30-31-27(39-26)38-14-15-2-8-19(28)9-3-15/h2-13,21,33H,14H2,1H3/b22-20+