ethyl 4-[3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 4-[3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=C(CCN1CC(COC3=CC=C(C=C3)C(=O)OCC)O)SC=C2

Isomeric SMILES

CCC1C2=C(CCN1CC(COC3=CC=C(C=C3)C(=O)OCC)O)SC=C2

InChI

InChI=1S/C21H27NO4S/c1-3-19-18-10-12-27-20(18)9-11-22(19)13-16(23)14-26-17-7-5-15(6-8-17)21(24)25-4-2/h5-8,10,12,16,19,23H,3-4,9,11,13-14H2,1-2H3