O1-ethyl O4-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl) butanedioate

Systemtic Name: O1-ethyl O4-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl) butanedioate Openeye Name: O1-ethyl O4-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl) butanedioate CAS Name: butanedioic acid O1-ethyl ester O4-[3-(2-imidazo[2,1-b][1,3]benzothiazolyl)phenyl] ester IUPAC Name: 1-O-ethyl 4-O-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl) butanedioate Traditional Name: succinic acid O1-ethyl ester O4-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl) ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)OC1=CC=CC(=C1)C2=CN3C4=CC=CC=C4SC3=N2

Isomeric SMILES

CCOC(=O)CCC(=O)OC1=CC=CC(=C1)C2=CN3C4=CC=CC=C4SC3=N2

InChI

InChI=1S/C21H18N2O4S/c1-2-26-19(24)10-11-20(25)27-15-7-5-6-14(12-15)16-13-23-17-8-3-4-9-18(17)28-21(23)22-16/h3-9,12-13H,2,10-11H2,1H3