ethyl (2R)-2-[[5-[(2,6-dimethylphenoxy)methyl]furan-2-yl]carbonylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[[5-[(2,6-dimethylphenoxy)methyl]furan-2-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[5-[(2,6-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[[5-[(2,6-dimethylphenoxy)methyl]-2-furanyl]-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[5-[(2,6-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[5-[(2,6-dimethylphenoxy)methyl]-2-furoyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C19H23NO5S MolecularWeight: 377.45462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1=CC=C(O1)COC2=C(C=CC=C2C)C

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C1=CC=C(O1)COC2=C(C=CC=C2C)C

InChI

InChI=1S/C19H23NO5S/c1-4-23-19(22)15(11-26)20-18(21)16-9-8-14(25-16)10-24-17-12(2)6-5-7-13(17)3/h5-9,15,26H,4,10-11H2,1-3H3,(H,20,21)/t15-/m0/s1