[2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate

Systemtic Name: [2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate Openeye Name: [2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate CAS Name: 3-acetamido-3-(4-methoxyphenyl)propanoic acid [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate Traditional Name: 3-acetamido-3-(4-methoxyphenyl)propionic acid [2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-keto-ethyl] ester Formula: C25H25FN2O5S MolecularWeight: 484.539803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)NC(C1=CC=C(C=C1)F)C2=CC=CS2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)NC(CC(=O)OCC(=O)NC(C1=CC=C(C=C1)F)C2=CC=CS2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H25FN2O5S/c1-16(29)27-21(17-7-11-20(32-2)12-8-17)14-24(31)33-15-23(30)28-25(22-4-3-13-34-22)18-5-9-19(26)10-6-18/h3-13,21,25H,14-15H2,1-2H3,(H,27,29)(H,28,30)