(2-oxidanylidene-2-phenylazanyl-ethyl) 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoate Openeye Name: (2-anilino-2-oxo-ethyl) 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetic acid (2-anilino-2-keto-ethyl) ester Formula: C12H12N4O3S2 MolecularWeight: 324.37868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O3S2/c13-11-15-16-12(21-11)20-7-10(18)19-6-9(17)14-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,13,15)(H,14,17)