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

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H21N3O4S/c1-14-6-8-15(9-7-14)29-11-10-22-19(25)13-28-20(26)12-18-16-4-2-3-5-17(16)21(27)24-23-18/h2-9H,10-13H2,1H3,(H,22,25)(H,24,27)