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

Systemtic Name: ethyl 8-[[3-[(2-methoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: ethyl 8-[[3-[(2-methoxyphenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[[[3-[(2-methoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester IUPAC Name: ethyl 8-[[3-[(2-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[[(4-keto-3-o-anisyl-quinazolin-2-yl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester Formula: C28H26N2O6S MolecularWeight: 518.58084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=C1)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5OC)OCOC2

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=C1)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5OC)OCOC2

InChI

InChI=1S/C28H26N2O6S/c1-3-35-27(32)19-12-20-15-34-17-36-25(20)21(13-19)16-37-28-29-23-10-6-5-9-22(23)26(31)30(28)14-18-8-4-7-11-24(18)33-2/h4-13H,3,14-17H2,1-2H3