ethyl 3-[[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]methyl]coumarilic acid ethyl ester Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC4=CC=CC=C4C(=O)N3CCCOC(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC4=CC=CC=C4C(=O)N3CCCOC(C)C

InChI

InChI=1S/C26H28N2O5S/c1-4-31-25(30)23-20(18-10-6-8-13-22(18)33-23)16-34-26-27-21-12-7-5-11-19(21)24(29)28(26)14-9-15-32-17(2)3/h5-8,10-13,17H,4,9,14-16H2,1-3H3