methyl (2R)-4-[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]carbonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[5-(2-chloro-4-nitro-phenyl)furan-2-carbonyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[[5-(2-chloro-4-nitrophenyl)-2-furanyl]-oxomethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[5-(2-chloro-4-nitrophenyl)furan-2-carbonyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[5-(2-chloro-4-nitro-phenyl)-2-furoyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C17H15ClN2O6S MolecularWeight: 410.8288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H15ClN2O6S/c1-25-17(22)15-9-19(6-7-27-15)16(21)14-5-4-13(26-14)11-3-2-10(20(23)24)8-12(11)18/h2-5,8,15H,6-7,9H2,1H3/t15-/m1/s1