methyl 2-[furan-2-yl-[3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]amino]propanoate

Systemtic Name: methyl 2-[furan-2-yl-[3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]amino]propanoate Openeye Name: methyl 2-[[2-(benzoylsulfanylmethyl)-3-phenyl-propanoyl]-(2-furyl)amino]propanoate CAS Name: 2-[[2-[(benzoylthio)methyl]-1-oxo-3-phenylpropyl]-(2-furanyl)amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(benzoylsulfanylmethyl)-3-phenylpropanoyl]-(furan-2-yl)amino]propanoate Traditional Name: 2-[[2-[(benzoylthio)methyl]-3-phenyl-propanoyl]-(2-furyl)amino]propionic acid methyl ester Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N(C1=CC=CO1)C(=O)C(CC2=CC=CC=C2)CSC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)OC)N(C1=CC=CO1)C(=O)C(CC2=CC=CC=C2)CSC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H25NO5S/c1-18(24(28)30-2)26(22-14-9-15-31-22)23(27)21(16-19-10-5-3-6-11-19)17-32-25(29)20-12-7-4-8-13-20/h3-15,18,21H,16-17H2,1-2H3