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

Systemtic Name: butyl 4-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]benzoic acid butyl ester Formula: C16H19N3O3S3 MolecularWeight: 397.53536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)SC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)SC

InChI

InChI=1S/C16H19N3O3S3/c1-3-4-9-22-14(21)11-5-7-12(8-6-11)17-13(20)10-24-16-19-18-15(23-2)25-16/h5-8H,3-4,9-10H2,1-2H3,(H,17,20)