[2-oxidanylidene-2-[[2-(phenylmethylsulfanyl)phenyl]amino]ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylmethylsulfanyl)phenyl]amino]ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [2-(2-benzylsulfanylanilino)-2-oxo-ethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid [2-oxo-2-[2-(phenylmethylthio)anilino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylanilino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid [2-[2-(benzylthio)anilino]-2-keto-ethyl] ester Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=CC=C2NC(=O)COC(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=CC=C2NC(=O)COC(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C25H21N3O4S/c29-23(26-20-12-6-7-13-22(20)33-16-17-8-2-1-3-9-17)15-32-24(30)14-21-18-10-4-5-11-19(18)25(31)28-27-21/h1-13H,14-16H2,(H,26,29)(H,28,31)