[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 3-fluoranyl-4-methyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C16H16FNO3S MolecularWeight: 321.366543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC2=CC=CS2)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC2=CC=CS2)F

InChI

InChI=1S/C16H16FNO3S/c1-11-4-5-12(9-14(11)17)16(20)21-10-15(19)18-7-6-13-3-2-8-22-13/h2-5,8-9H,6-7,10H2,1H3,(H,18,19)