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

Systemtic Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-cyanobenzoate Openeye Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (2-pyrrolidino-1,3-benzothiazol-6-yl) ester Formula: C19H15N3O2S MolecularWeight: 349.4063

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C19H15N3O2S/c20-12-13-3-5-14(6-4-13)18(23)24-15-7-8-16-17(11-15)25-19(21-16)22-9-1-2-10-22/h3-8,11H,1-2,9-10H2