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

Systemtic Name: methyl 4-[2-[(5-chloranylsulfonyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoyloxy]benzoate Openeye Name: methyl 4-[2-[(5-chlorosulfonyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]oxybenzoate CAS Name: 4-[2-[(5-chlorosulfonyl-1,3,4-thiadiazol-2-yl)thio]-1-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(5-chlorosulfonyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]oxybenzoate Traditional Name: 4-[2-[(5-chlorosulfonyl-1,3,4-thiadiazol-2-yl)thio]acetyl]oxybenzoic acid methyl ester Formula: C12H9ClN2O6S3 MolecularWeight: 408.85766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClN2O6S3/c1-20-10(17)7-2-4-8(5-3-7)21-9(16)6-22-11-14-15-12(23-11)24(13,18)19/h2-5H,6H2,1H3