methyl (2S,3S)-1-[(S)-(4-methylphenyl)sulfinyl]-3-[4-(trifluoromethyl)phenyl]aziridine-2-carboxylate

Systemtic Name: methyl (2S,3S)-1-[(S)-(4-methylphenyl)sulfinyl]-3-[4-(trifluoromethyl)phenyl]aziridine-2-carboxylate Openeye Name: methyl (2S,3S)-1-[(S)-p-tolylsulfinyl]-3-[4-(trifluoromethyl)phenyl]aziridine-2-carboxylate CAS Name: (2S,3S)-1-[(S)-(4-methylphenyl)sulfinyl]-3-[4-(trifluoromethyl)phenyl]-2-aziridinecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S)-1-[(S)-(4-methylphenyl)sulfinyl]-3-[4-(trifluoromethyl)phenyl]aziridine-2-carboxylate Traditional Name: (2S,3S)-1-[(S)-p-tolylsulfinyl]-3-[4-(trifluoromethyl)phenyl]ethylenimine-2-carboxylic acid methyl ester Formula: C18H16F3NO3S MolecularWeight: 383.38475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)N2C(C2C(=O)OC)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)[S@](=O)N2[C@H]([C@H]2C(=O)OC)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H16F3NO3S/c1-11-3-9-14(10-4-11)26(24)22-15(16(22)17(23)25-2)12-5-7-13(8-6-12)18(19,20)21/h3-10,15-16H,1-2H3/t15-,16-,22?,26-/m0/s1