methyl 4-[2-[(5-chloranylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoyloxy]benzoate

Systemtic Name: methyl 4-[2-[(5-chloranylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoyloxy]benzoate Openeye Name: methyl 4-[2-[(5-chlorosulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]oxybenzoate CAS Name: 4-[2-[[5-(chlorothio)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(5-chlorosulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]oxybenzoate Traditional Name: 4-[2-[[5-(chlorothio)-1,3,4-thiadiazol-2-yl]thio]acetyl]oxybenzoic acid methyl ester Formula: C12H9ClN2O4S3 MolecularWeight: 376.85886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClN2O4S3/c1-18-10(17)7-2-4-8(5-3-7)19-9(16)6-20-11-14-15-12(21-11)22-13/h2-5H,6H2,1H3