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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC(=NS2)SC

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC(=NS2)SC

InChI

InChI=1S/C16H19N3O3S3/c1-4-12(24-16-18-15(23-3)19-25-16)13(20)17-11-8-6-10(7-9-11)14(21)22-5-2/h6-9,12H,4-5H2,1-3H3,(H,17,20)