3-(2-phthalazin-1-ylsulfanylethanoylamino)propanoate

Systemtic Name: 3-(2-phthalazin-1-ylsulfanylethanoylamino)propanoate Openeye Name: 3-[(2-phthalazin-1-ylsulfanylacetyl)amino]propanoate CAS Name: 3-[[1-oxo-2-(1-phthalazinylthio)ethyl]amino]propanoate IUPAC Name: 3-[(2-phthalazin-1-ylsulfanylacetyl)amino]propanoate Traditional Name: 3-[[2-(phthalazin-1-ylthio)acetyl]amino]propionate Formula: C13H12N3O3S- MolecularWeight: 290.31768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN=C2SCC(=O)NCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=NN=C2SCC(=O)NCCC(=O)[O-]

InChI

InChI=1S/C13H13N3O3S/c17-11(14-6-5-12(18)19)8-20-13-10-4-2-1-3-9(10)7-15-16-13/h1-4,7H,5-6,8H2,(H,14,17)(H,18,19)/p-1