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

Systemtic Name: butyl 4-[2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]acetyl]amino]benzoic acid butyl ester Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

InChI

InChI=1S/C26H29N3O5S/c1-2-3-14-34-25(32)18-10-12-19(13-11-18)27-23(30)17-35-26-28-22-9-5-4-8-21(22)24(31)29(26)16-20-7-6-15-33-20/h4-5,8-13,20H,2-3,6-7,14-17H2,1H3,(H,27,30)