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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(S2)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(S2)N

InChI

InChI=1S/C14H16N4O3S2/c1-3-21-12(20)9-4-6-10(7-5-9)16-11(19)8(2)22-14-18-17-13(15)23-14/h4-8H,3H2,1-2H3,(H2,15,17)(H,16,19)