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

Systemtic Name: methyl 5-[(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(3-cyclohexyl-4-oxo-2-quinazolinyl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(3-cyclohexyl-4-keto-quinazolin-2-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCCC4

InChI

InChI=1S/C21H22N2O4S/c1-26-20(25)18-12-11-15(27-18)13-28-21-22-17-10-6-5-9-16(17)19(24)23(21)14-7-3-2-4-8-14/h5-6,9-12,14H,2-4,7-8,13H2,1H3