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

Systemtic Name: methyl 2-[2-[3-[4-(furan-2-ylmethylamino)-4-oxidanylidene-butyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[3-[4-(2-furylmethylamino)-4-oxo-butyl]-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[3-[4-(2-furanylmethylamino)-4-oxobutyl]-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-[4-(furan-2-ylmethylamino)-4-oxobutyl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[3-[4-(2-furfurylamino)-4-keto-butyl]-4-keto-quinazolin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C27H26N4O6S MolecularWeight: 534.58354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC=CO4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C27H26N4O6S/c1-36-26(35)20-10-3-5-12-22(20)29-24(33)17-38-27-30-21-11-4-2-9-19(21)25(34)31(27)14-6-13-23(32)28-16-18-8-7-15-37-18/h2-5,7-12,15H,6,13-14,16-17H2,1H3,(H,28,32)(H,29,33)