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

Systemtic Name: ethyl 2-[1-oxidanylidene-2-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]isoquinolin-5-yl]oxyethanoate Openeye Name: ethyl 2-[[1-oxo-2-[2-oxo-2-(thiazol-2-ylamino)ethyl]-5-isoquinolyl]oxy]acetate CAS Name: 2-[[1-oxo-2-[2-oxo-2-(2-thiazolylamino)ethyl]-5-isoquinolinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-oxo-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]isoquinolin-5-yl]oxyacetate Traditional Name: 2-[[1-keto-2-[2-keto-2-(thiazol-2-ylamino)ethyl]-5-isoquinolyl]oxy]acetic acid ethyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=NC=CS3

Isomeric SMILES

CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=NC=CS3

InChI

InChI=1S/C18H17N3O5S/c1-2-25-16(23)11-26-14-5-3-4-13-12(14)6-8-21(17(13)24)10-15(22)20-18-19-7-9-27-18/h3-9H,2,10-11H2,1H3,(H,19,20,22)