[2-oxidanylidene-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-fluoranyl-4-methyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [2-oxo-2-[[(1S)-1-(2-thienyl)ethyl]amino]ethyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [2-keto-2-[[(1S)-1-(2-thienyl)ethyl]amino]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)NC(C)C2=CC=CS2)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N[C@@H](C)C2=CC=CS2)F

InChI

InChI=1S/C16H16FNO3S/c1-10-5-6-12(8-13(10)17)16(20)21-9-15(19)18-11(2)14-4-3-7-22-14/h3-8,11H,9H2,1-2H3,(H,18,19)/t11-/m0/s1