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

Systemtic Name: methyl (2R)-4-(4-dimethylaminophenyl)carbonyl-1-thiophen-2-ylcarbonyl-piperazine-2-carboxylate Openeye Name: methyl (2R)-4-[4-(dimethylamino)benzoyl]-1-(thiophene-2-carbonyl)piperazine-2-carboxylate CAS Name: (2R)-4-[(4-dimethylaminophenyl)-oxomethyl]-1-[oxo(thiophen-2-yl)methyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[4-(dimethylamino)benzoyl]-1-(thiophene-2-carbonyl)piperazine-2-carboxylate Traditional Name: (2R)-4-[4-(dimethylamino)benzoyl]-1-(2-thenoyl)piperazine-2-carboxylic acid methyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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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)C3=CC=CS3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N2CCN([C@H](C2)C(=O)OC)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H23N3O4S/c1-21(2)15-8-6-14(7-9-15)18(24)22-10-11-23(16(13-22)20(26)27-3)19(25)17-5-4-12-28-17/h4-9,12,16H,10-11,13H2,1-3H3/t16-/m1/s1