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

Systemtic Name: methyl 4-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]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)CNC(=O)CSC2=NN=C(S2)SC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(S2)SC

InChI

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