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

Systemtic Name: methyl 2-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]benzoate Openeye Name: methyl 2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]benzoate CAS Name: 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]benzoate Traditional Name: 2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]propanoylamino]benzoic acid methyl ester Formula: C13H14N4O3S2 MolecularWeight: 338.40526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=NN=C(S2)N

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=NN=C(S2)N

InChI

InChI=1S/C13H14N4O3S2/c1-7(21-13-17-16-12(14)22-13)10(18)15-9-6-4-3-5-8(9)11(19)20-2/h3-7H,1-2H3,(H2,14,16)(H,15,18)