methyl 5-[(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[(3-butyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[(3-butyl-4-oxo-2-quinazolinyl)thio]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[(3-butyl-4-keto-quinazolin-2-yl)thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=C(O3)C)C(=O)OC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=C(O3)C)C(=O)OC

InChI

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