ethyl 2-[(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]furan-3-carboxylate

Systemtic Name: ethyl 2-[(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]furan-3-carboxylate Openeye Name: ethyl 2-[(3-butyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]furan-3-carboxylate CAS Name: 2-[[(3-butyl-4-oxo-2-quinazolinyl)thio]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-[[(3-butyl-4-keto-quinazolin-2-yl)thio]methyl]furan-3-carboxylic acid ethyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=C(C=CO3)C(=O)OCC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=C(C=CO3)C(=O)OCC

InChI

InChI=1S/C20H22N2O4S/c1-3-5-11-22-18(23)14-8-6-7-9-16(14)21-20(22)27-13-17-15(10-12-26-17)19(24)25-4-2/h6-10,12H,3-5,11,13H2,1-2H3