methyl 2,4-bis(fluoranyl)-5-[[(2S)-1-thiophen-2-ylcarbonylpyrrolidin-2-yl]carbonylamino]benzoate

Systemtic Name: methyl 2,4-bis(fluoranyl)-5-[[(2S)-1-thiophen-2-ylcarbonylpyrrolidin-2-yl]carbonylamino]benzoate Openeye Name: methyl 2,4-difluoro-5-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate CAS Name: 2,4-difluoro-5-[[oxo-[(2S)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2,4-difluoro-5-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate Traditional Name: 2,4-difluoro-5-[[(2S)-1-(2-thenoyl)prolyl]amino]benzoic acid methyl ester Formula: C18H16F2N2O4S MolecularWeight: 394.392446

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1F)F)NC(=O)C2CCCN2C(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1F)F)NC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3

InChI

InChI=1S/C18H16F2N2O4S/c1-26-18(25)10-8-13(12(20)9-11(10)19)21-16(23)14-4-2-6-22(14)17(24)15-5-3-7-27-15/h3,5,7-9,14H,2,4,6H2,1H3,(H,21,23)/t14-/m0/s1