methyl (3R)-2-[2-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)oxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)oxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-[4-oxo-4-(2-thienyl)butanoyl]oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-(1,4-dioxo-4-thiophen-2-ylbutoxy)-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-[4-keto-4-(2-thienyl)butanoyl]oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C21H21NO6S MolecularWeight: 415.45954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)COC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)COC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C21H21NO6S/c1-27-21(26)16-11-14-5-2-3-6-15(14)12-22(16)19(24)13-28-20(25)9-8-17(23)18-7-4-10-29-18/h2-7,10,16H,8-9,11-13H2,1H3/t16-/m1/s1