[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H21N3O4S/c25-19(22-11-6-12-29-15-7-2-1-3-8-15)14-28-20(26)13-18-16-9-4-5-10-17(16)21(27)24-23-18/h1-5,7-10H,6,11-14H2,(H,22,25)(H,24,27)