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

Systemtic Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]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-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H20BrNO3S MolecularWeight: 434.3467

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrNO3S/c1-14(25-19(23)13-26-18-8-6-17(21)7-9-18)20(24)22-11-10-15-4-2-3-5-16(15)12-22/h2-9,14H,10-13H2,1H3