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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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