methyl 4-oxidanylidene-2-(2-oxidanylidenecyclohexyl)sulfanyl-3-phenyl-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-(2-oxidanylidenecyclohexyl)sulfanyl-3-phenyl-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-(2-oxocyclohexyl)sulfanyl-3-phenyl-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[(2-oxocyclohexyl)thio]-3-phenyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-(2-oxocyclohexyl)sulfanyl-3-phenylquinazoline-7-carboxylate Traditional Name: 4-keto-2-[(2-ketocyclohexyl)thio]-3-phenyl-quinazoline-7-carboxylic acid methyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SC3CCCCC3=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SC3CCCCC3=O)C4=CC=CC=C4

InChI

InChI=1S/C22H20N2O4S/c1-28-21(27)14-11-12-16-17(13-14)23-22(29-19-10-6-5-9-18(19)25)24(20(16)26)15-7-3-2-4-8-15/h2-4,7-8,11-13,19H,5-6,9-10H2,1H3