O1-tert-butyl O2-(2-sulfanylidenepyridin-1-yl) (2R,3S)-3-[(3-cyanoindol-1-yl)methyl]aziridine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-(2-sulfanylidenepyridin-1-yl) (2R,3S)-3-[(3-cyanoindol-1-yl)methyl]aziridine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-(2-thioxo-1-pyridyl) (2R,3S)-3-[(3-cyanoindol-1-yl)methyl]aziridine-1,2-dicarboxylate CAS Name: (2R,3S)-3-[(3-cyano-1-indolyl)methyl]aziridine-1,2-dicarboxylic acid O1-tert-butyl ester O2-(2-sulfanylidene-1-pyridinyl) ester IUPAC Name: 1-O-tert-butyl 2-O-(2-sulfanylidenepyridin-1-yl) (2R,3S)-3-[(3-cyanoindol-1-yl)methyl]aziridine-1,2-dicarboxylate Traditional Name: (2R,3S)-3-[(3-cyanoindol-1-yl)methyl]ethylenimine-1,2-dicarboxylic acid O1-tert-butyl ester O2-(2-thioxo-1-pyridyl) ester Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C1C(=O)ON2C=CC=CC2=S)CN3C=C(C4=CC=CC=C43)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H]([C@@H]1C(=O)ON2C=CC=CC2=S)CN3C=C(C4=CC=CC=C43)C#N

InChI

InChI=1S/C23H22N4O4S/c1-23(2,3)30-22(29)27-18(20(27)21(28)31-26-11-7-6-10-19(26)32)14-25-13-15(12-24)16-8-4-5-9-17(16)25/h4-11,13,18,20H,14H2,1-3H3/t18-,20+,27?/m0/s1