[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate

Systemtic Name: [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [2-[[(2,3-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [2-[(2,3-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C20H21FN2O4S MolecularWeight: 404.455143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F)C

InChI

InChI=1S/C20H21FN2O4S/c1-13-4-3-5-17(14(13)2)22-20(26)23-18(24)12-27-19(25)10-11-28-16-8-6-15(21)7-9-16/h3-9H,10-12H2,1-2H3,(H2,22,23,24,26)