2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxylate

Systemtic Name: 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxylate Openeye Name: 3-benzyl-2-[2-(1,3-dioxoisoindolin-2-yl)ethylsulfanyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[2-(1,3-dioxo-2-isoindolyl)ethylthio]-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxylate IUPAC Name: 3-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 3-benzyl-4-keto-2-(2-phthalimidoethylthio)quinazoline-7-carboxylate Formula: C26H18N3O5S- MolecularWeight: 484.50322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)[O-])N=C2SCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)[O-])N=C2SCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H19N3O5S/c30-22-18-8-4-5-9-19(18)23(31)28(22)12-13-35-26-27-21-14-17(25(33)34)10-11-20(21)24(32)29(26)15-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,33,34)/p-1