methyl (2R)-4-(4-dimethylaminophenyl)carbonyl-1-(2-methylsulfanylethanoyl)piperazine-2-carboxylate

Systemtic Name: methyl (2R)-4-(4-dimethylaminophenyl)carbonyl-1-(2-methylsulfanylethanoyl)piperazine-2-carboxylate Openeye Name: methyl (2R)-4-[4-(dimethylamino)benzoyl]-1-(2-methylsulfanylacetyl)piperazine-2-carboxylate CAS Name: (2R)-4-[(4-dimethylaminophenyl)-oxomethyl]-1-[2-(methylthio)-1-oxoethyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[4-(dimethylamino)benzoyl]-1-(2-methylsulfanylacetyl)piperazine-2-carboxylate Traditional Name: (2R)-4-[4-(dimethylamino)benzoyl]-1-[2-(methylthio)acetyl]piperazine-2-carboxylic acid methyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)N2CCN(C(C2)C(=O)OC)C(=O)CSC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N2CCN([C@H](C2)C(=O)OC)C(=O)CSC

InChI

InChI=1S/C18H25N3O4S/c1-19(2)14-7-5-13(6-8-14)17(23)20-9-10-21(16(22)12-26-4)15(11-20)18(24)25-3/h5-8,15H,9-12H2,1-4H3/t15-/m1/s1