dimethyl 2-(11-oxidanylidene-[1,3]benzothiazolo[3,2-b]isoquinolin-6-yl)butanedioate

Systemtic Name: dimethyl 2-(11-oxidanylidene-[1,3]benzothiazolo[3,2-b]isoquinolin-6-yl)butanedioate Openeye Name: dimethyl 2-(11-oxo-[1,3]benzothiazolo[3,2-b]isoquinolin-6-yl)butanedioate CAS Name: 2-(11-oxo-[1,3]benzothiazolo[3,2-b]isoquinolin-6-yl)butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(11-oxo-[1,3]benzothiazolo[3,2-b]isoquinolin-6-yl)butanedioate Traditional Name: 2-(11-keto-[1,3]benzothiazol[3,2-b]isoquinolin-6-yl)succinic acid dimethyl ester Formula: C21H17NO5S MolecularWeight: 395.42838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=C2N(C3=CC=CC=C3S2)C(=O)C4=CC=CC=C41)C(=O)OC

Isomeric SMILES

COC(=O)CC(C1=C2N(C3=CC=CC=C3S2)C(=O)C4=CC=CC=C41)C(=O)OC

InChI

InChI=1S/C21H17NO5S/c1-26-17(23)11-14(21(25)27-2)18-12-7-3-4-8-13(12)19(24)22-15-9-5-6-10-16(15)28-20(18)22/h3-10,14H,11H2,1-2H3