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

Systemtic Name: methyl (2S,3S)-1-[(S)-(4-methylphenyl)sulfinyl]-3-pyridin-3-yl-aziridine-2-carboxylate Openeye Name: methyl (2S,3S)-1-[(S)-p-tolylsulfinyl]-3-(3-pyridyl)aziridine-2-carboxylate CAS Name: (2S,3S)-1-[(S)-(4-methylphenyl)sulfinyl]-3-(3-pyridinyl)-2-aziridinecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S)-1-[(S)-(4-methylphenyl)sulfinyl]-3-pyridin-3-ylaziridine-2-carboxylate Traditional Name: (2S,3S)-1-[(S)-p-tolylsulfinyl]-3-(3-pyridyl)ethylenimine-2-carboxylic acid methyl ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3S/c1-11-5-7-13(8-6-11)22(20)18-14(15(18)16(19)21-2)12-4-3-9-17-10-12/h3-10,14-15H,1-2H3/t14-,15-,18?,22-/m0/s1