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

Systemtic Name: butyl 4-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]benzoic acid butyl ester Formula: C17H21N3O3S3 MolecularWeight: 411.56194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3S3/c1-3-5-10-23-15(22)12-6-8-13(9-7-12)18-14(21)11-25-17-20-19-16(26-17)24-4-2/h6-9H,3-5,10-11H2,1-2H3,(H,18,21)