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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1=CC=C(O1)COC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C1=CC=C(O1)COC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H27NO5S/c1-5-25-20(24)17(13-28)22-19(23)18-11-10-16(27-18)12-26-15-8-6-14(7-9-15)21(2,3)4/h6-11,17,28H,5,12-13H2,1-4H3,(H,22,23)/t17-/m0/s1