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

Systemtic Name: methyl 5-[[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-oxo-3-(3-phenylpropyl)-2-quinazolinyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-keto-3-(3-phenylpropyl)quinazolin-2-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

InChI

InChI=1S/C24H22N2O4S/c1-29-23(28)21-14-13-18(30-21)16-31-24-25-20-12-6-5-11-19(20)22(27)26(24)15-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-14H,7,10,15-16H2,1H3