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

Systemtic Name: [2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoate Openeye Name: [2-(3-methylbenzothiophen-2-yl)-2-oxo-ethyl] 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate CAS Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetic acid [2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl] 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate Traditional Name: 2-(1,3-diketo-4H-isoquinolin-2-yl)acetic acid [2-keto-2-(3-methylbenzothiophen-2-yl)ethyl] ester Formula: C22H17NO5S MolecularWeight: 407.43908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)COC(=O)CN3C(=O)CC4=CC=CC=C4C3=O

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)COC(=O)CN3C(=O)CC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H17NO5S/c1-13-15-7-4-5-9-18(15)29-21(13)17(24)12-28-20(26)11-23-19(25)10-14-6-2-3-8-16(14)22(23)27/h2-9H,10-12H2,1H3