4-oxidanylidene-3-[2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl]phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl]phthalazine-1-carboxylic acid Openeye Name: 4-oxo-3-[2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl]phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[2-oxo-2-[[1-oxo-3-(phenylthio)propyl]amino]ethyl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-[2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl]phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-[3-(phenylthio)propanoylamino]ethyl]phthalazine-1-carboxylic acid Formula: C20H17N3O5S MolecularWeight: 411.43108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C20H17N3O5S/c24-16(10-11-29-13-6-2-1-3-7-13)21-17(25)12-23-19(26)15-9-5-4-8-14(15)18(22-23)20(27)28/h1-9H,10-12H2,(H,27,28)(H,21,24,25)