[2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 3-acetamidobenzoate

Systemtic Name: [2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 3-acetamidobenzoate Openeye Name: [2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-keto-ethyl] ester Formula: C22H19FN2O4S MolecularWeight: 426.460663

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3

InChI

InChI=1S/C22H19FN2O4S/c1-14(26)24-18-5-2-4-16(12-18)22(28)29-13-20(27)25-21(19-6-3-11-30-19)15-7-9-17(23)10-8-15/h2-12,21H,13H2,1H3,(H,24,26)(H,25,27)