(3-methoxy-3-oxidanylidene-propyl)sulfanyl 3-methyl-2-[3-(trifluoromethyl)phenyl]-1,2-diaziridine-1-carboxylate

Systemtic Name: (3-methoxy-3-oxidanylidene-propyl)sulfanyl 3-methyl-2-[3-(trifluoromethyl)phenyl]-1,2-diaziridine-1-carboxylate Openeye Name: (3-methoxy-3-oxo-propyl)sulfanyl 3-methyl-2-[3-(trifluoromethyl)phenyl]diaziridine-1-carboxylate CAS Name: 3-methyl-2-[3-(trifluoromethyl)phenyl]-1-diaziridinecarboxylic acid [(3-methoxy-3-oxopropyl)thio] ester IUPAC Name: (3-methoxy-3-oxopropyl)sulfanyl 3-methyl-2-[3-(trifluoromethyl)phenyl]diaziridine-1-carboxylate Traditional Name: 3-methyl-2-[3-(trifluoromethyl)phenyl]diaziridine-1-carboxylic acid [(3-keto-3-methoxy-propyl)thio] ester Formula: C14H15F3N2O4S MolecularWeight: 364.34011

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(N1C(=O)OSCCC(=O)OC)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC1N(N1C(=O)OSCCC(=O)OC)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C14H15F3N2O4S/c1-9-18(11-5-3-4-10(8-11)14(15,16)17)19(9)13(21)23-24-7-6-12(20)22-2/h3-5,8-9H,6-7H2,1-2H3