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

Systemtic Name: ethyl (2R)-2-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[5-[(4-sec-butylphenoxy)methyl]furan-2-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[[5-[(4-butan-2-ylphenoxy)methyl]-2-furanyl]-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-3-mercapto-2-[[5-[(4-sec-butylphenoxy)methyl]-2-furoyl]amino]propionic acid ethyl ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO5S/c1-4-14(3)15-6-8-16(9-7-15)26-12-17-10-11-19(27-17)20(23)22-18(13-28)21(24)25-5-2/h6-11,14,18,28H,4-5,12-13H2,1-3H3,(H,22,23)/t14?,18-/m0/s1