methyl (2S)-4-(3-fluorophenyl)carbonyl-1-(2-methylsulfanylethanoyl)piperazine-2-carboxylate

Systemtic Name: methyl (2S)-4-(3-fluorophenyl)carbonyl-1-(2-methylsulfanylethanoyl)piperazine-2-carboxylate Openeye Name: methyl (2S)-4-(3-fluorobenzoyl)-1-(2-methylsulfanylacetyl)piperazine-2-carboxylate CAS Name: (2S)-4-[(3-fluorophenyl)-oxomethyl]-1-[2-(methylthio)-1-oxoethyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-4-(3-fluorobenzoyl)-1-(2-methylsulfanylacetyl)piperazine-2-carboxylate Traditional Name: (2S)-4-(3-fluorobenzoyl)-1-[2-(methylthio)acetyl]piperazine-2-carboxylic acid methyl ester Formula: C16H19FN2O4S MolecularWeight: 354.396463

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1C(=O)CSC)C(=O)C2=CC(=CC=C2)F

Isomeric SMILES

COC(=O)[C@@H]1CN(CCN1C(=O)CSC)C(=O)C2=CC(=CC=C2)F

InChI

InChI=1S/C16H19FN2O4S/c1-23-16(22)13-9-18(6-7-19(13)14(20)10-24-2)15(21)11-4-3-5-12(17)8-11/h3-5,8,13H,6-7,9-10H2,1-2H3/t13-/m0/s1