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

Systemtic Name: ethyl 3-[[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[3-(2-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[4-oxo-3-(2-propan-2-ylphenyl)-2-quinazolinyl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(4-keto-3-o-cumenyl-quinazolin-2-yl)thio]methyl]coumarilic acid ethyl ester Formula: C29H26N2O4S MolecularWeight: 498.59274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5C(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5C(C)C

InChI

InChI=1S/C29H26N2O4S/c1-4-34-28(33)26-22(20-12-7-10-16-25(20)35-26)17-36-29-30-23-14-8-5-13-21(23)27(32)31(29)24-15-9-6-11-19(24)18(2)3/h5-16,18H,4,17H2,1-3H3