O1-ethyl O4-(3-imidazo[2,1-b][1,3]benzothiazol-8-ylphenyl) butanedioate

Systemtic Name: O1-ethyl O4-(3-imidazo[2,1-b][1,3]benzothiazol-8-ylphenyl) butanedioate Openeye Name: O1-ethyl O4-(3-imidazo[2,1-b][1,3]benzothiazol-8-ylphenyl) butanedioate CAS Name: butanedioic acid O1-ethyl ester O4-[3-(8-imidazo[2,1-b][1,3]benzothiazolyl)phenyl] ester IUPAC Name: 1-O-ethyl 4-O-(3-imidazo[2,1-b][1,3]benzothiazol-8-ylphenyl) butanedioate Traditional Name: succinic acid O1-ethyl ester O4-(3-imidazo[2,1-b][1,3]benzothiazol-8-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=C3C(=CC=C2)SC4=NC=CN34

Isomeric SMILES

CCOC(=O)CCC(=O)OC1=CC=CC(=C1)C2=C3C(=CC=C2)SC4=NC=CN34

InChI

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