methyl 3-[(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 3-[(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[(7-chloro-3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[(7-chloro-3-cyclohexyl-4-oxo-2-quinazolinyl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[(7-chloro-3-cyclohexyl-4-keto-quinazolin-2-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CO1)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4CCCCC4

Isomeric SMILES

COC(=O)C1=C(C=CO1)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4CCCCC4

InChI

InChI=1S/C21H21ClN2O4S/c1-27-20(26)18-13(9-10-28-18)12-29-21-23-17-11-14(22)7-8-16(17)19(25)24(21)15-5-3-2-4-6-15/h7-11,15H,2-6,12H2,1H3