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

Systemtic Name: ethyl 3-[(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]methyl]coumarilic acid ethyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC4=CC=CC=C4C(=O)N3C5CCCC5

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC4=CC=CC=C4C(=O)N3C5CCCC5

InChI

InChI=1S/C25H24N2O4S/c1-2-30-24(29)22-19(17-11-6-8-14-21(17)31-22)15-32-25-26-20-13-7-5-12-18(20)23(28)27(25)16-9-3-4-10-16/h5-8,11-14,16H,2-4,9-10,15H2,1H3