methyl 4-fluoranyl-3-[(1-thiophen-2-ylcarbonylpyrrolidin-2-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-fluoranyl-3-[(1-thiophen-2-ylcarbonylpyrrolidin-2-yl)carbonylamino]benzoate Openeye Name: methyl 4-fluoro-3-[[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate CAS Name: 4-fluoro-3-[[oxo-[1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-fluoro-3-[[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate Traditional Name: 4-fluoro-3-[[1-(2-thenoyl)prolyl]amino]benzoic acid methyl ester Formula: C18H17FN2O4S MolecularWeight: 376.401983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17FN2O4S/c1-25-18(24)11-6-7-12(19)13(10-11)20-16(22)14-4-2-8-21(14)17(23)15-5-3-9-26-15/h3,5-7,9-10,14H,2,4,8H2,1H3,(H,20,22)