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

Systemtic Name: [2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-keto-ethyl] ester Formula: C20H19FN2O5S3 MolecularWeight: 482.568663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(C2=CC=C(C=C2)F)NC(=O)COC(=O)CCNS(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1=CSC(=C1)C(C2=CC=C(C=C2)F)NC(=O)COC(=O)CCNS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H19FN2O5S3/c21-15-7-5-14(6-8-15)20(16-3-1-11-29-16)23-17(24)13-28-18(25)9-10-22-31(26,27)19-4-2-12-30-19/h1-8,11-12,20,22H,9-10,13H2,(H,23,24)