(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C24H20N2O5S2 MolecularWeight: 480.556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=COC(=N4)C5=CC=CS5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=COC(=N4)C5=CC=CS5

InChI

InChI=1S/C24H20N2O5S2/c27-24(31-16-20-15-30-23(25-20)22-9-4-12-32-22)18-7-3-8-21(13-18)33(28,29)26-11-10-17-5-1-2-6-19(17)14-26/h1-9,12-13,15H,10-11,14,16H2