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

Systemtic Name: methyl 3-[(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[(3-butyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[(3-butyl-4-oxo-2-quinazolinyl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[(3-butyl-4-keto-quinazolin-2-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=C(OC=C3)C(=O)OC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=C(OC=C3)C(=O)OC

InChI

InChI=1S/C19H20N2O4S/c1-3-4-10-21-17(22)14-7-5-6-8-15(14)20-19(21)26-12-13-9-11-25-16(13)18(23)24-2/h5-9,11H,3-4,10,12H2,1-2H3