3,4-dihydro-1H-isoquinolin-2-yl-[(2S,3R,4R)-2-ethoxy-3-(3-oxidanylpropyl)-4-thiophen-3-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-3-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-(3-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-(3-thiophenyl)-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-3-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-(3-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=CSC=C4)CCCO

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO4S/c1-2-28-24-20(8-5-12-26)21(19-10-13-30-16-19)14-22(29-24)23(27)25-11-9-17-6-3-4-7-18(17)15-25/h3-4,6-7,10,13-14,16,20-21,24,26H,2,5,8-9,11-12,15H2,1H3/t20-,21+,24+/m1/s1