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

Systemtic Name: methyl 5-[[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(O4)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(O4)C(=O)OC

InChI

InChI=1S/C23H20N2O4S/c1-3-15-8-10-16(11-9-15)25-21(26)18-6-4-5-7-19(18)24-23(25)30-14-17-12-13-20(29-17)22(27)28-2/h4-13H,3,14H2,1-2H3