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

Systemtic Name: methyl 5-[(3-ethyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(3-ethyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(3-ethyl-4-oxo-2-benzo[g]quinazolinyl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(3-ethyl-4-keto-benzo[g]quinazolin-2-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC4=CC=C(O4)C(=O)OC

Isomeric SMILES

CCN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC4=CC=C(O4)C(=O)OC

InChI

InChI=1S/C21H18N2O4S/c1-3-23-19(24)16-10-13-6-4-5-7-14(13)11-17(16)22-21(23)28-12-15-8-9-18(27-15)20(25)26-2/h4-11H,3,12H2,1-2H3