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

Systemtic Name: methyl 2-[2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O5S/c1-28-19(26)12-29-16-7-4-5-14-13(16)9-10-24(20(14)27)11-18(25)23-21-22-15-6-2-3-8-17(15)30-21/h2-10H,11-12H2,1H3,(H,22,23,25)