methyl 4-oxidanylidene-2-(2-oxidanyl-2-phenyl-ethyl)sulfanyl-3-phenethyl-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-(2-oxidanyl-2-phenyl-ethyl)sulfanyl-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 2-(2-hydroxy-2-phenyl-ethyl)sulfanyl-4-oxo-3-phenethyl-quinazoline-7-carboxylate CAS Name: 2-[(2-hydroxy-2-phenylethyl)thio]-4-oxo-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-hydroxy-2-phenylethyl)sulfanyl-4-oxo-3-phenethylquinazoline-7-carboxylate Traditional Name: 2-[(2-hydroxy-2-phenyl-ethyl)thio]-4-keto-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C26H24N2O4S MolecularWeight: 460.54476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(C3=CC=CC=C3)O)CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(C3=CC=CC=C3)O)CCC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O4S/c1-32-25(31)20-12-13-21-22(16-20)27-26(33-17-23(29)19-10-6-3-7-11-19)28(24(21)30)15-14-18-8-4-2-5-9-18/h2-13,16,23,29H,14-15,17H2,1H3