propan-2-yl 2-[3-(phenylmethyl)quinolin-2-yl]sulfanylethanoate

Systemtic Name: propan-2-yl 2-[3-(phenylmethyl)quinolin-2-yl]sulfanylethanoate Openeye Name: isopropyl 2-[(3-benzyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[[3-(phenylmethyl)-2-quinolinyl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(3-benzylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-benzyl-2-quinolyl)thio]acetic acid isopropyl ester Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NC2=CC=CC=C2C=C1CC3=CC=CC=C3

Isomeric SMILES

CC(C)OC(=O)CSC1=NC2=CC=CC=C2C=C1CC3=CC=CC=C3

InChI

InChI=1S/C21H21NO2S/c1-15(2)24-20(23)14-25-21-18(12-16-8-4-3-5-9-16)13-17-10-6-7-11-19(17)22-21/h3-11,13,15H,12,14H2,1-2H3