[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoate

Systemtic Name: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoate Openeye Name: [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 2-indan-5-ylsulfanylacetate CAS Name: 2-(2,3-dihydro-1H-inden-5-ylthio)acetic acid [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate Traditional Name: 2-(indan-5-ylthio)acetic acid [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)CSC3=CC4=C(CCC4)C=C3

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C2C1)OC(=O)CSC3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C23H25NO3S/c1-16(23(26)24-12-11-18-5-2-3-6-20(18)14-24)27-22(25)15-28-21-10-9-17-7-4-8-19(17)13-21/h2-3,5-6,9-10,13,16H,4,7-8,11-12,14-15H2,1H3/t16-/m1/s1