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

Systemtic Name: propan-2-yl 4-[2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[5-(propylthio)-1,3,4-thiadiazol-2-yl]thio]ethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[5-(propylthio)-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]benzoic acid isopropyl ester Formula: C17H21N3O3S3 MolecularWeight: 411.56194

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(S1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

Isomeric SMILES

CCCSC1=NN=C(S1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

InChI

InChI=1S/C17H21N3O3S3/c1-4-9-24-16-19-20-17(26-16)25-10-14(21)18-13-7-5-12(6-8-13)15(22)23-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,18,21)