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

Systemtic Name: ethyl (2R)-2-[[5-[(2-chloranyl-4-nitro-phenoxy)methyl]furan-2-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[5-[(2-chloro-4-nitro-phenoxy)methyl]furan-2-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[[5-[(2-chloro-4-nitrophenoxy)methyl]-2-furanyl]-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[5-[(2-chloro-4-nitrophenoxy)methyl]furan-2-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[5-[(2-chloro-4-nitro-phenoxy)methyl]-2-furoyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C17H17ClN2O7S MolecularWeight: 428.84408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1=CC=C(O1)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O7S/c1-2-25-17(22)13(9-28)19-16(21)15-6-4-11(27-15)8-26-14-5-3-10(20(23)24)7-12(14)18/h3-7,13,28H,2,8-9H2,1H3,(H,19,21)/t13-/m0/s1