(phenylmethyl) 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate

Systemtic Name: (phenylmethyl) 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate Openeye Name: benzyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]propionic acid benzyl ester Formula: C12H13N3O2S2 MolecularWeight: 295.38052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)SC2=NN=C(S2)N

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1)SC2=NN=C(S2)N

InChI

InChI=1S/C12H13N3O2S2/c1-8(18-12-15-14-11(13)19-12)10(16)17-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,13,14)