O1-tert-butyl O2-(2-sulfanylidenepyridin-1-yl) (2R,3S)-3-[(6-methoxycarbonyl-4-phenylmethoxy-indol-1-yl)methyl]aziridine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-(2-sulfanylidenepyridin-1-yl) (2R,3S)-3-[(6-methoxycarbonyl-4-phenylmethoxy-indol-1-yl)methyl]aziridine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-(2-thioxo-1-pyridyl) (2R,3S)-3-[(4-benzyloxy-6-methoxycarbonyl-indol-1-yl)methyl]aziridine-1,2-dicarboxylate CAS Name: (2R,3S)-3-[(6-methoxycarbonyl-4-phenylmethoxy-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-[(6-methoxycarbonyl-4-phenylmethoxyindol-1-yl)methyl]aziridine-1,2-dicarboxylate Traditional Name: (2R,3S)-3-[(4-benzoxy-6-carbomethoxy-indol-1-yl)methyl]ethylenimine-1,2-dicarboxylic acid O1-tert-butyl ester O2-(2-thioxo-1-pyridyl) ester Formula: C31H31N3O7S MolecularWeight: 589.65874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C1C(=O)ON2C=CC=CC2=S)CN3C=CC4=C3C=C(C=C4OCC5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H]([C@@H]1C(=O)ON2C=CC=CC2=S)CN3C=CC4=C3C=C(C=C4OCC5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C31H31N3O7S/c1-31(2,3)40-30(37)34-24(27(34)29(36)41-33-14-9-8-12-26(33)42)18-32-15-13-22-23(32)16-21(28(35)38-4)17-25(22)39-19-20-10-6-5-7-11-20/h5-17,24,27H,18-19H2,1-4H3/t24-,27+,34?/m0/s1