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

Systemtic Name: ethyl (2R)-2-[[5-[(4-bromanylphenoxy)methyl]furan-2-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[[5-[(4-bromophenoxy)methyl]-2-furanyl]-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[5-[(4-bromophenoxy)methyl]-2-furoyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C17H18BrNO5S MolecularWeight: 428.29752

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrNO5S/c1-2-22-17(21)14(10-25)19-16(20)15-8-7-13(24-15)9-23-12-5-3-11(18)4-6-12/h3-8,14,25H,2,9-10H2,1H3,(H,19,20)/t14-/m0/s1