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

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO4S/c18-15(17-11-13-5-4-9-20-13)12-21-16(19)8-10-22-14-6-2-1-3-7-14/h1-7,9H,8,10-12H2,(H,17,18)