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

Systemtic Name: methyl 4-[[5-(2-methylsulfanylethanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-[(2-methylsulfanylacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[[2-(methylthio)-1-oxoethyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(2-methylsulfanylacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-[[2-(methylthio)acetyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C14H15N3O3S3 MolecularWeight: 369.4822

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CSC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CSC

InChI

InChI=1S/C14H15N3O3S3/c1-20-12(19)10-5-3-9(4-6-10)7-22-14-17-16-13(23-14)15-11(18)8-21-2/h3-6H,7-8H2,1-2H3,(H,15,16,18)