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

Systemtic Name: ethyl 4-[2-[3-[4-(furan-2-ylmethylamino)-4-oxidanylidene-butyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-[4-(2-furylmethylamino)-4-oxo-butyl]-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-[4-(2-furanylmethylamino)-4-oxobutyl]-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-[4-(furan-2-ylmethylamino)-4-oxobutyl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-[4-(2-furfurylamino)-4-keto-butyl]-4-keto-quinazolin-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C28H28N4O6S MolecularWeight: 548.61012

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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)NCC4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C28H28N4O6S/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/h3-4,6-9,11-14,16H,2,5,10,15,17-18H2,1H3,(H,29,33)(H,30,34)