[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate CAS Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate Traditional Name: 2-(1,3-diketo-4H-isoquinolin-2-yl)acetic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)OCC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)OCC(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5S/c24-18(22-10-11-29-16-7-2-1-3-8-16)14-28-20(26)13-23-19(25)12-15-6-4-5-9-17(15)21(23)27/h1-9H,10-14H2,(H,22,24)