ethyl 2-[2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate

Systemtic Name: ethyl 2-[2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate Openeye Name: ethyl 2-[[2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]-1-oxo-5-isoquinolyl]oxy]acetate CAS Name: 2-[[2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate Traditional Name: 2-[[1-keto-2-[2-keto-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]-5-isoquinolyl]oxy]acetic acid ethyl ester Formula: C23H21N3O5S MolecularWeight: 451.49494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=NC4=C(S3)C=C(C=C4)C

Isomeric SMILES

CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=NC4=C(S3)C=C(C=C4)C

InChI

InChI=1S/C23H21N3O5S/c1-3-30-21(28)13-31-18-6-4-5-16-15(18)9-10-26(22(16)29)12-20(27)25-23-24-17-8-7-14(2)11-19(17)32-23/h4-11H,3,12-13H2,1-2H3,(H,24,25,27)