[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-methoxyethylamino)-2-oxoethyl]thio]benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(2-methoxyethylamino)ethyl]thio]benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C23H26N2O5S MolecularWeight: 442.52794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

COCCNC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C23H26N2O5S/c1-29-13-11-24-21(26)16-31-20-9-5-4-8-19(20)23(28)30-15-22(27)25-12-10-17-6-2-3-7-18(17)14-25/h2-9H,10-16H2,1H3,(H,24,26)