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

Systemtic Name: ethyl (2R)-2-[[5-[(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)methyl]furan-2-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[5-[(4-chloro-2-isopropyl-5-methyl-phenoxy)methyl]furan-2-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[[5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-2-furanyl]-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[5-[(4-chloro-2-isopropyl-5-methyl-phenoxy)methyl]-2-furoyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C21H26ClNO5S MolecularWeight: 439.95284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClNO5S/c1-5-26-21(25)17(11-29)23-20(24)18-7-6-14(28-18)10-27-19-8-13(4)16(22)9-15(19)12(2)3/h6-9,12,17,29H,5,10-11H2,1-4H3,(H,23,24)/t17-/m0/s1