ethyl 8-[[3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate

Systemtic Name: ethyl 8-[[3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: ethyl 8-[[3-(2-morpholin-4-ium-4-ylethyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[[[3-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-2-quinazolinyl]thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester IUPAC Name: ethyl 8-[[3-(2-morpholin-4-ium-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[[[4-keto-3-(2-morpholin-4-ium-4-ylethyl)quinazolin-2-yl]thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester Formula: C26H30N3O6S+ MolecularWeight: 512.5979

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=C1)CSC3=NC4=CC=CC=C4C(=O)N3CC[NH+]5CCOCC5)OCOC2

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=C1)CSC3=NC4=CC=CC=C4C(=O)N3CC[NH+]5CCOCC5)OCOC2

InChI

InChI=1S/C26H29N3O6S/c1-2-34-25(31)18-13-19-15-33-17-35-23(19)20(14-18)16-36-26-27-22-6-4-3-5-21(22)24(30)29(26)8-7-28-9-11-32-12-10-28/h3-6,13-14H,2,7-12,15-17H2,1H3/p+1