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

Systemtic Name: ethyl (2R)-2-[[5-[(4-bromanyl-2-chloranyl-phenoxy)methyl]furan-2-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[5-[(4-bromo-2-chloro-phenoxy)methyl]furan-2-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[[5-[(4-bromo-2-chlorophenoxy)methyl]-2-furanyl]-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[5-[(4-bromo-2-chloro-phenoxy)methyl]-2-furoyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C17H17BrClNO5S MolecularWeight: 462.74258

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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)Br)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrClNO5S/c1-2-23-17(22)13(9-26)20-16(21)15-6-4-11(25-15)8-24-14-5-3-10(18)7-12(14)19/h3-7,13,26H,2,8-9H2,1H3,(H,20,21)/t13-/m0/s1