ethyl 4-[2-[4-oxidanylidene-3-[4-oxidanylidene-4-(oxolan-2-ylmethylamino)butyl]quinazolin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-oxidanylidene-3-[4-oxidanylidene-4-(oxolan-2-ylmethylamino)butyl]quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-oxo-3-[4-oxo-4-(tetrahydrofuran-2-ylmethylamino)butyl]quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[4-oxo-3-[4-oxo-4-(2-oxolanylmethylamino)butyl]-2-quinazolinyl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-oxo-3-[4-oxo-4-(oxolan-2-ylmethylamino)butyl]quinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-keto-3-[4-keto-4-(tetrahydrofurfurylamino)butyl]quinazolin-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C28H32N4O6S MolecularWeight: 552.64188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4CCCO4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4CCCO4

InChI

InChI=1S/C28H32N4O6S/c1-2-37-27(36)19-11-13-20(14-12-19)30-25(34)18-39-28-31-23-9-4-3-8-22(23)26(35)32(28)15-5-10-24(33)29-17-21-7-6-16-38-21/h3-4,8-9,11-14,21H,2,5-7,10,15-18H2,1H3,(H,29,33)(H,30,34)