methyl 4-[(3E)-1-[5-[(2,4-dichlorophenyl)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-[(2,4-dichlorophenyl)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-[(2,4-dichlorophenyl)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-[(2,4-dichlorophenyl)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-[(2,4-dichlorophenyl)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-[(2,4-dichlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-[hydroxy(4-pyridyl)methylene]-4,5-diketo-pyrrolidin-2-yl]benzoic acid methyl ester Formula: C27H18Cl2N4O5S2 MolecularWeight: 613.49162

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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=C(C=C(C=C5)Cl)Cl

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=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C27H18Cl2N4O5S2/c1-38-25(37)16-4-2-14(3-5-16)21-20(22(34)15-8-10-30-11-9-15)23(35)24(36)33(21)26-31-32-27(40-26)39-13-17-6-7-18(28)12-19(17)29/h2-12,21,34H,13H2,1H3/b22-20+