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

Systemtic Name: ethyl 4-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoyloxymethyl]benzoate Openeye Name: ethyl 4-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]oxymethyl]benzoate CAS Name: 4-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-oxoethoxy]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]oxymethyl]benzoate Traditional Name: 4-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetyl]oxymethyl]benzoic acid ethyl ester Formula: C14H15N3O4S2 MolecularWeight: 353.4166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)COC(=O)CSC2=NN=C(S2)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)COC(=O)CSC2=NN=C(S2)N

InChI

InChI=1S/C14H15N3O4S2/c1-2-20-12(19)10-5-3-9(4-6-10)7-21-11(18)8-22-14-17-16-13(15)23-14/h3-6H,2,7-8H2,1H3,(H2,15,16)