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

Systemtic Name: methyl 4-[[2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[[5-(propylthio)-1,3,4-thiadiazol-2-yl]thio]ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[[5-(propylthio)-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C16H19N3O3S3 MolecularWeight: 397.53536

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(S1)SCC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCSC1=NN=C(S1)SCC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H19N3O3S3/c1-3-8-23-15-18-19-16(25-15)24-10-13(20)17-9-11-4-6-12(7-5-11)14(21)22-2/h4-7H,3,8-10H2,1-2H3,(H,17,20)