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

Systemtic Name: [2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 3-phenylpropanoate Openeye Name: [2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-keto-ethyl] ester Formula: C22H20FNO3S MolecularWeight: 397.462503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20FNO3S/c23-18-11-9-17(10-12-18)22(19-7-4-14-28-19)24-20(25)15-27-21(26)13-8-16-5-2-1-3-6-16/h1-7,9-12,14,22H,8,13,15H2,(H,24,25)