methyl 2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylsulfanyl]-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylsulfanyl]-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[(1,3-dioxoisoindolin-2-yl)methylsulfanyl]-4-oxo-3-phenethyl-quinazoline-7-carboxylate CAS Name: 2-[(1,3-dioxo-2-isoindolyl)methylthio]-4-oxo-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]-4-oxo-3-phenethylquinazoline-7-carboxylate Traditional Name: 4-keto-3-phenethyl-2-(phthalimidomethylthio)quinazoline-7-carboxylic acid methyl ester Formula: C27H21N3O5S MolecularWeight: 499.53774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCN3C(=O)C4=CC=CC=C4C3=O)CCC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCN3C(=O)C4=CC=CC=C4C3=O)CCC5=CC=CC=C5

InChI

InChI=1S/C27H21N3O5S/c1-35-26(34)18-11-12-21-22(15-18)28-27(29(25(21)33)14-13-17-7-3-2-4-8-17)36-16-30-23(31)19-9-5-6-10-20(19)24(30)32/h2-12,15H,13-14,16H2,1H3