methyl 4-[[5-[(4-methoxycarbonylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-[(4-methoxycarbonylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-[(4-methoxycarbonylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[(4-methoxycarbonylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(4-methoxycarbonylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-[(4-carbomethoxybenzyl)thio]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C20H18N2O4S3 MolecularWeight: 446.56292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H18N2O4S3/c1-25-17(23)15-7-3-13(4-8-15)11-27-19-21-22-20(29-19)28-12-14-5-9-16(10-6-14)18(24)26-2/h3-10H,11-12H2,1-2H3