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

Systemtic Name: ethyl 2-[2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate Openeye Name: ethyl 2-[[2-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]-1-oxo-5-isoquinolyl]oxy]acetate CAS Name: 2-[[2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate Traditional Name: 2-[[2-[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]-1-keto-5-isoquinolyl]oxy]acetic acid ethyl ester Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H19N3O5S/c1-2-29-20(27)13-30-17-8-5-6-15-14(17)10-11-25(21(15)28)12-19(26)24-22-23-16-7-3-4-9-18(16)31-22/h3-11H,2,12-13H2,1H3,(H,23,24,26)