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

Systemtic Name: ethyl 2-[2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxypropanoate Openeye Name: ethyl 2-[[2-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]-1-oxo-5-isoquinolyl]oxy]propanoate CAS Name: 2-[[2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate Traditional Name: 2-[[2-[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]-1-keto-5-isoquinolyl]oxy]propionic acid ethyl ester Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=NC4=CC=CC=C4S3

InChI

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