3,4-dihydro-1H-isoquinolin-2-yl-[(2S,3R,4R)-2-ethoxy-3-(3-oxidanylpropyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(2S,3R,4R)-2-ethoxy-3-(3-oxidanylpropyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-(2-thienyl)-3,4-dihydro-2H-pyran-6-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-yl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-(2-thienyl)-3,4-dihydro-2H-pyran-6-yl]methanone Formula: C24H29NO4S MolecularWeight: 427.55636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(C(C=C(O1)C(=O)N2CCC3=CC=CC=C3C2)C4=CC=CS4)CCCO

Isomeric SMILES

CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)N2CCC3=CC=CC=C3C2)C4=CC=CS4)CCCO

InChI

InChI=1S/C24H29NO4S/c1-2-28-24-19(9-5-13-26)20(22-10-6-14-30-22)15-21(29-24)23(27)25-12-11-17-7-3-4-8-18(17)16-25/h3-4,6-8,10,14-15,19-20,24,26H,2,5,9,11-13,16H2,1H3/t19-,20-,24+/m1/s1