(2-morpholin-4-yl-1,3-benzothiazol-6-yl) 4-cyanobenzoate

Systemtic Name: (2-morpholin-4-yl-1,3-benzothiazol-6-yl) 4-cyanobenzoate Openeye Name: (2-morpholino-1,3-benzothiazol-6-yl) 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-(4-morpholinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-morpholin-4-yl-1,3-benzothiazol-6-yl) 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (2-morpholino-1,3-benzothiazol-6-yl) ester Formula: C19H15N3O3S MolecularWeight: 365.4057

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1COCCN1C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C19H15N3O3S/c20-12-13-1-3-14(4-2-13)18(23)25-15-5-6-16-17(11-15)26-19(21-16)22-7-9-24-10-8-22/h1-6,11H,7-10H2