[2-(3,5-diethoxypyridin-4-yl)-1,3-benzothiazol-6-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [2-(3,5-diethoxypyridin-4-yl)-1,3-benzothiazol-6-yl]-pyrrolidin-1-yl-methanone Openeye Name: [2-(3,5-diethoxy-4-pyridyl)-1,3-benzothiazol-6-yl]-pyrrolidin-1-yl-methanone CAS Name: [2-(3,5-diethoxy-4-pyridinyl)-1,3-benzothiazol-6-yl]-(1-pyrrolidinyl)methanone IUPAC Name: [2-(3,5-diethoxypyridin-4-yl)-1,3-benzothiazol-6-yl]-pyrrolidin-1-ylmethanone Traditional Name: [2-(3,5-diethoxy-4-pyridyl)-1,3-benzothiazol-6-yl]-pyrrolidino-methanone Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CN=CC(=C1C2=NC3=C(S2)C=C(C=C3)C(=O)N4CCCC4)OCC

Isomeric SMILES

CCOC1=CN=CC(=C1C2=NC3=C(S2)C=C(C=C3)C(=O)N4CCCC4)OCC

InChI

InChI=1S/C21H23N3O3S/c1-3-26-16-12-22-13-17(27-4-2)19(16)20-23-15-8-7-14(11-18(15)28-20)21(25)24-9-5-6-10-24/h7-8,11-13H,3-6,9-10H2,1-2H3