[(2S)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-fluoranylphenoxy)benzoate

Systemtic Name: [(2S)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-fluoranylphenoxy)benzoate Openeye Name: [(1S)-2-[(3-carbamoyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 4-(4-fluorophenoxy)benzoate CAS Name: 4-(4-fluorophenoxy)benzoic acid [(2S)-1-[(3-carbamoyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 4-(4-fluorophenoxy)benzoate Traditional Name: 4-(4-fluorophenoxy)benzoic acid [(1S)-2-[(3-carbamoyl-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H17FN2O5S MolecularWeight: 428.433483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F

InChI

InChI=1S/C21H17FN2O5S/c1-12(19(26)24-20-17(18(23)25)10-11-30-20)28-21(27)13-2-6-15(7-3-13)29-16-8-4-14(22)5-9-16/h2-12H,1H3,(H2,23,25)(H,24,26)/t12-/m0/s1