[1-(tert-butylamino)-3-(3-cyanothieno[3,2-c]pyridin-4-yl)oxy-propan-2-yl] nonanoate

Systemtic Name: [1-(tert-butylamino)-3-(3-cyanothieno[3,2-c]pyridin-4-yl)oxy-propan-2-yl] nonanoate Openeye Name: [1-[(tert-butylamino)methyl]-2-(3-cyanothieno[3,2-c]pyridin-4-yl)oxy-ethyl] nonanoate CAS Name: nonanoic acid [1-(tert-butylamino)-3-[(3-cyano-4-thieno[3,2-c]pyridinyl)oxy]propan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-3-(3-cyanothieno[3,2-c]pyridin-4-yl)oxypropan-2-yl] nonanoate Traditional Name: pelargonic acid [1-[(tert-butylamino)methyl]-2-(3-cyanothieno[3,2-c]pyridin-4-yl)oxy-ethyl] ester Formula: C24H35N3O3S MolecularWeight: 445.618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC(CNC(C)(C)C)COC1=NC=CC2=C1C(=CS2)C#N

Isomeric SMILES

CCCCCCCCC(=O)OC(CNC(C)(C)C)COC1=NC=CC2=C1C(=CS2)C#N

InChI

InChI=1S/C24H35N3O3S/c1-5-6-7-8-9-10-11-21(28)30-19(15-27-24(2,3)4)16-29-23-22-18(14-25)17-31-20(22)12-13-26-23/h12-13,17,19,27H,5-11,15-16H2,1-4H3