methyl (2R)-1-(2-methylsulfanylethanoyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate

Systemtic Name: methyl (2R)-1-(2-methylsulfanylethanoyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate Openeye Name: methyl (2R)-4-(isopropylcarbamoyl)-1-(2-methylsulfanylacetyl)piperazine-2-carboxylate CAS Name: (2R)-1-[2-(methylthio)-1-oxoethyl]-4-[oxo-(propan-2-ylamino)methyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-(2-methylsulfanylacetyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate Traditional Name: (2R)-4-(isopropylcarbamoyl)-1-[2-(methylthio)acetyl]piperazine-2-carboxylic acid methyl ester Formula: C13H23N3O4S MolecularWeight: 317.40442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CCN(C(C1)C(=O)OC)C(=O)CSC

Isomeric SMILES

CC(C)NC(=O)N1CCN([C@H](C1)C(=O)OC)C(=O)CSC

InChI

InChI=1S/C13H23N3O4S/c1-9(2)14-13(19)15-5-6-16(11(17)8-21-4)10(7-15)12(18)20-3/h9-10H,5-8H2,1-4H3,(H,14,19)/t10-/m1/s1