methyl (3R)-2-[2-(3-chloranyl-4-fluoranyl-phenyl)sulfanylethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-(3-chloranyl-4-fluoranyl-phenyl)sulfanylethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(3-chloro-4-fluoro-phenyl)sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[(3-chloro-4-fluorophenyl)thio]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-[(3-chloro-4-fluoro-phenyl)thio]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C19H17ClFNO3S MolecularWeight: 393.859583

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)CSC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)CSC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H17ClFNO3S/c1-25-19(24)17-8-12-4-2-3-5-13(12)10-22(17)18(23)11-26-14-6-7-16(21)15(20)9-14/h2-7,9,17H,8,10-11H2,1H3/t17-/m1/s1