ethyl (2R)-2-[[5-[(4-propylphenoxy)methyl]furan-2-yl]carbonylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[[5-[(4-propylphenoxy)methyl]furan-2-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[5-[(4-propylphenoxy)methyl]furan-2-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[oxo-[5-[(4-propylphenoxy)methyl]-2-furanyl]methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[5-[(4-propylphenoxy)methyl]furan-2-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-3-mercapto-2-[[5-[(4-propylphenoxy)methyl]-2-furoyl]amino]propionic acid ethyl ester Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NC(CS)C(=O)OCC

Isomeric SMILES

CCCC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)N[C@@H](CS)C(=O)OCC

InChI

InChI=1S/C20H25NO5S/c1-3-5-14-6-8-15(9-7-14)25-12-16-10-11-18(26-16)19(22)21-17(13-27)20(23)24-4-2/h6-11,17,27H,3-5,12-13H2,1-2H3,(H,21,22)/t17-/m0/s1