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

Systemtic Name: ethyl 3-[3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 3-[3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxy-propoxy]benzoate CAS Name: 3-[3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxypropoxy]benzoate Traditional Name: 3-[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=CC(=C3)C(=O)OCC)O)SC=C2

Isomeric SMILES

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

InChI

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