[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H17ClN2O5S MolecularWeight: 396.84528

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)NC(=O)COC(=O)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=COC(=C1)CNC(=O)NC(=O)COC(=O)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H17ClN2O5S/c18-12-3-5-14(6-4-12)26-9-7-16(22)25-11-15(21)20-17(23)19-10-13-2-1-8-24-13/h1-6,8H,7,9-11H2,(H2,19,20,21,23)