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

Systemtic Name: methyl 4-[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C13H13N3O3S3 MolecularWeight: 355.45562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NS2)SC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NS2)SC

InChI

InChI=1S/C13H13N3O3S3/c1-19-11(18)8-3-5-9(6-4-8)14-10(17)7-21-13-15-12(20-2)16-22-13/h3-6H,7H2,1-2H3,(H,14,17)