[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)OCC(=O)NC(=O)NCC2=CC=CO2

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)OCC(=O)NC(=O)NCC2=CC=CO2

InChI

InChI=1S/C17H18N2O5S/c20-15(19-17(22)18-11-13-5-4-9-23-13)12-24-16(21)8-10-25-14-6-2-1-3-7-14/h1-7,9H,8,10-12H2,(H2,18,19,20,22)