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

Systemtic Name: ethyl 8-[(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: ethyl 8-[(3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[[(3-cyclohexyl-4-oxo-2-quinazolinyl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester IUPAC Name: ethyl 8-[(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[[(3-cyclohexyl-4-keto-quinazolin-2-yl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=C1)CSC3=NC4=CC=CC=C4C(=O)N3C5CCCCC5)OCOC2

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=C1)CSC3=NC4=CC=CC=C4C(=O)N3C5CCCCC5)OCOC2

InChI

InChI=1S/C26H28N2O5S/c1-2-32-25(30)17-12-18-14-31-16-33-23(18)19(13-17)15-34-26-27-22-11-7-6-10-21(22)24(29)28(26)20-8-4-3-5-9-20/h6-7,10-13,20H,2-5,8-9,14-16H2,1H3