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

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

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO5S/c1-4-24-20(23)17(12-27)21-19(22)18-10-9-16(26-18)11-25-15-7-5-14(6-8-15)13(2)3/h5-10,13,17,27H,4,11-12H2,1-3H3,(H,21,22)/t17-/m0/s1