2-methylsulfanylethyl 3-[[5-(2-chloranyl-4-methylsulfonyl-phenoxy)-2-nitro-phenyl]amino]propanoate

Systemtic Name: 2-methylsulfanylethyl 3-[[5-(2-chloranyl-4-methylsulfonyl-phenoxy)-2-nitro-phenyl]amino]propanoate Openeye Name: 2-methylsulfanylethyl 3-[5-(2-chloro-4-methylsulfonyl-phenoxy)-2-nitro-anilino]propanoate CAS Name: 3-[5-(2-chloro-4-methylsulfonylphenoxy)-2-nitroanilino]propanoic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl 3-[5-(2-chloro-4-methylsulfonylphenoxy)-2-nitroanilino]propanoate Traditional Name: 3-[5-(2-chloro-4-mesyl-phenoxy)-2-nitro-anilino]propionic acid 2-(methylthio)ethyl ester Formula: C19H21ClN2O7S2 MolecularWeight: 488.96224

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Descriptors Computed from Structure

Canonical SMILES:

CSCCOC(=O)CCNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)Cl)[N+](=O)[O-]

Isomeric SMILES

CSCCOC(=O)CCNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN2O7S2/c1-30-10-9-28-19(23)7-8-21-16-11-13(3-5-17(16)22(24)25)29-18-6-4-14(12-15(18)20)31(2,26)27/h3-6,11-12,21H,7-10H2,1-2H3