methyl 3-(2-chloranyl-6-nitro-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate

Systemtic Name: methyl 3-(2-chloranyl-6-nitro-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate Openeye Name: methyl 3-(2-chloro-6-nitro-phenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate CAS Name: 3-[(2-chloro-6-nitrophenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-(2-chloro-6-nitrophenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate Traditional Name: 3-[(2-chloro-6-nitro-phenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C17H16ClNO6S MolecularWeight: 397.83004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(C(=O)OC)O)SC2=C(C=CC=C2Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(C(C(=O)OC)O)SC2=C(C=CC=C2Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClNO6S/c1-24-11-8-6-10(7-9-11)15(14(20)17(21)25-2)26-16-12(18)4-3-5-13(16)19(22)23/h3-9,14-15,20H,1-2H3