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

Systemtic Name: methyl (2S)-4-(3-fluorophenyl)carbonyl-1-thiophen-2-ylcarbonyl-piperazine-2-carboxylate Openeye Name: methyl (2S)-4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxylate CAS Name: (2S)-4-[(3-fluorophenyl)-oxomethyl]-1-[oxo(thiophen-2-yl)methyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxylate Traditional Name: (2S)-4-(3-fluorobenzoyl)-1-(2-thenoyl)piperazine-2-carboxylic acid methyl ester Formula: C18H17FN2O4S MolecularWeight: 376.401983

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1C(=O)C2=CC=CS2)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

COC(=O)[C@@H]1CN(CCN1C(=O)C2=CC=CS2)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C18H17FN2O4S/c1-25-18(24)14-11-20(16(22)12-4-2-5-13(19)10-12)7-8-21(14)17(23)15-6-3-9-26-15/h2-6,9-10,14H,7-8,11H2,1H3/t14-/m0/s1