2-[(2-methyl-5-nitro-phenyl)carbamoylsulfanyl]ethyl 2-(4-chloranylphenoxy)ethanoate

Systemtic Name: 2-[(2-methyl-5-nitro-phenyl)carbamoylsulfanyl]ethyl 2-(4-chloranylphenoxy)ethanoate Openeye Name: 2-[(2-methyl-5-nitro-phenyl)carbamoylsulfanyl]ethyl 2-(4-chlorophenoxy)acetate CAS Name: 2-(4-chlorophenoxy)acetic acid 2-[[(2-methyl-5-nitroanilino)-oxomethyl]thio]ethyl ester IUPAC Name: 2-[(2-methyl-5-nitrophenyl)carbamoylsulfanyl]ethyl 2-(4-chlorophenoxy)acetate Traditional Name: 2-(4-chlorophenoxy)acetic acid 2-[(2-methyl-5-nitro-phenyl)carbamoylthio]ethyl ester Formula: C18H17ClN2O6S MolecularWeight: 424.85538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)SCCOC(=O)COC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)SCCOC(=O)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H17ClN2O6S/c1-12-2-5-14(21(24)25)10-16(12)20-18(23)28-9-8-26-17(22)11-27-15-6-3-13(19)4-7-15/h2-7,10H,8-9,11H2,1H3,(H,20,23)