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

Systemtic Name: methyl 4-[(3E)-1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-[(2,5-dimethylphenyl)-oxidanyl-methylidene]-4,5-bis(oxidanylidene)pyrrolidin-2-yl]benzoate Openeye Name: methyl 4-[(3E)-1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-[(2,5-dimethylphenyl)-hydroxy-methylene]-4,5-dioxo-pyrrolidin-2-yl]benzoate CAS Name: 4-[(3E)-1-[5-[(4-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-[(2,5-dimethylphenyl)-hydroxymethylidene]-4,5-dioxo-2-pyrrolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3E)-1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-[(2,5-dimethylphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-2-yl]benzoate Traditional Name: 4-[(3E)-1-[5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-[(2,5-dimethylphenyl)-hydroxy-methylene]-4,5-diketo-pyrrolidin-2-yl]benzoic acid methyl ester Formula: C30H24ClN3O5S2 MolecularWeight: 606.11166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=C2C(N(C(=O)C2=O)C3=NN=C(S3)SCC4=CC=C(C=C4)Cl)C5=CC=C(C=C5)C(=O)OC)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)/C(=C\2/C(N(C(=O)C2=O)C3=NN=C(S3)SCC4=CC=C(C=C4)Cl)C5=CC=C(C=C5)C(=O)OC)/O

InChI

InChI=1S/C30H24ClN3O5S2/c1-16-4-5-17(2)22(14-16)25(35)23-24(19-8-10-20(11-9-19)28(38)39-3)34(27(37)26(23)36)29-32-33-30(41-29)40-15-18-6-12-21(31)13-7-18/h4-14,24,35H,15H2,1-3H3/b25-23+