[2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate

Systemtic Name: [2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate Openeye Name: [2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl] 2-(2-amino-2-oxo-ethyl)sulfanylbenzoate CAS Name: 2-[(2-amino-2-oxoethyl)thio]benzoic acid [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 2-(2-amino-2-oxoethyl)sulfanylbenzoate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]benzoic acid [2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-keto-ethyl] ester Formula: C22H19FN2O4S2 MolecularWeight: 458.525663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19FN2O4S2/c23-15-9-7-14(8-10-15)21(18-6-3-11-30-18)25-20(27)12-29-22(28)16-4-1-2-5-17(16)31-13-19(24)26/h1-11,21H,12-13H2,(H2,24,26)(H,25,27)