2-[[3-(2,3-dimethylcyclohexyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]furan-3-carboxylic acid

Systemtic Name: 2-[[3-(2,3-dimethylcyclohexyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]furan-3-carboxylic acid Openeye Name: 2-[[3-(2,3-dimethylcyclohexyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]furan-3-carboxylic acid CAS Name: 2-[[[3-(2,3-dimethylcyclohexyl)-4-oxo-2-quinazolinyl]thio]methyl]-3-furancarboxylic acid IUPAC Name: 2-[[3-(2,3-dimethylcyclohexyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-3-carboxylic acid Traditional Name: 2-[[[3-(2,3-dimethylcyclohexyl)-4-keto-quinazolin-2-yl]thio]methyl]-3-furoic acid Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CO4)C(=O)O

Isomeric SMILES

CC1CCCC(C1C)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CO4)C(=O)O

InChI

InChI=1S/C22H24N2O4S/c1-13-6-5-9-18(14(13)2)24-20(25)15-7-3-4-8-17(15)23-22(24)29-12-19-16(21(26)27)10-11-28-19/h3-4,7-8,10-11,13-14,18H,5-6,9,12H2,1-2H3,(H,26,27)