[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2-naphthalen-2-ylsulfanylethanoate

Systemtic Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C24H23NO3S MolecularWeight: 405.50932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)CSC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)CSC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H23NO3S/c1-17(24(27)25-13-12-19-7-3-5-9-21(19)15-25)28-23(26)16-29-22-11-10-18-6-2-4-8-20(18)14-22/h2-11,14,17H,12-13,15-16H2,1H3