methyl 2-[2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C21H19ClN2O5S/c1-27-18(25)11-24-20(26)14-5-2-3-6-16(14)23-21(24)30-12-13-9-15(22)19-17(10-13)28-7-4-8-29-19/h2-3,5-6,9-10H,4,7-8,11-12H2,1H3