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

Systemtic Name: ethyl 4-[3-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]benzoate Openeye Name: ethyl 4-[3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]benzoate CAS Name: 4-[[3-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]benzoate Traditional Name: 4-[3-[(5-amino-1,3,4-thiadiazol-2-yl)thio]propanoylamino]benzoic acid ethyl ester Formula: C14H16N4O3S2 MolecularWeight: 352.43184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NN=C(S2)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NN=C(S2)N

InChI

InChI=1S/C14H16N4O3S2/c1-2-21-12(20)9-3-5-10(6-4-9)16-11(19)7-8-22-14-18-17-13(15)23-14/h3-6H,2,7-8H2,1H3,(H2,15,17)(H,16,19)