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

Systemtic Name: tert-butyl 5-[[5-[pyridin-2-yl-bis(sulfanyl)methyl]-1-benzofuran-2-yl]carbonylamino]-1H-indole-2-carboxylate Openeye Name: tert-butyl 5-[[5-[2-pyridyl-bis(sulfanyl)methyl]benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate CAS Name: 5-[[[5-[dimercapto(2-pyridinyl)methyl]-2-benzofuranyl]-oxomethyl]amino]-1H-indole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[[5-[pyridin-2-yl-bis(sulfanyl)methyl]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-[[5-[dimercapto(2-pyridyl)methyl]benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylic acid tert-butyl ester Formula: C28H25N3O4S2 MolecularWeight: 531.6458

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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)C(C5=CC=CC=N5)(S)S

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC2=C(N1)C=CC(=C2)NC(=O)C3=CC4=C(O3)C=CC(=C4)C(C5=CC=CC=N5)(S)S

InChI

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