tert-butyl 5-[[5-[(pyridin-2-yldisulfanyl)methyl]-1-benzofuran-2-yl]carbonylamino]-1H-indole-2-carboxylate

Systemtic Name: tert-butyl 5-[[5-[(pyridin-2-yldisulfanyl)methyl]-1-benzofuran-2-yl]carbonylamino]-1H-indole-2-carboxylate Openeye Name: tert-butyl 5-[[5-[(2-pyridyldisulfanyl)methyl]benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate CAS Name: 5-[[oxo-[5-[(2-pyridinyldisulfanyl)methyl]-2-benzofuranyl]methyl]amino]-1H-indole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[[5-[(pyridin-2-yldisulfanyl)methyl]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-[[5-[(2-pyridyldisulfanyl)methyl]benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylic acid tert-butyl ester Formula: C28H25N3O4S2 MolecularWeight: 531.6458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC2=C(N1)C=CC(=C2)NC(=O)C3=CC4=C(O3)C=CC(=C4)CSSC5=CC=CC=N5

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC2=C(N1)C=CC(=C2)NC(=O)C3=CC4=C(O3)C=CC(=C4)CSSC5=CC=CC=N5

InChI

InChI=1S/C28H25N3O4S2/c1-28(2,3)35-27(33)22-14-18-13-20(8-9-21(18)31-22)30-26(32)24-15-19-12-17(7-10-23(19)34-24)16-36-37-25-6-4-5-11-29-25/h4-15,31H,16H2,1-3H3,(H,30,32)