2-[2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-[7-chloro-3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[7-chloro-3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[[7-chloro-4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]ethyl]isoindoline-1,3-quinone Formula: C21H18ClN3O4S MolecularWeight: 443.90332

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H18ClN3O4S/c1-29-10-8-25-20(28)16-7-6-13(22)12-17(16)23-21(25)30-11-9-24-18(26)14-4-2-3-5-15(14)19(24)27/h2-7,12H,8-11H2,1H3