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

Systemtic Name: ethyl 8-[[3-[(4-methoxyphenyl)carbonylamino]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: ethyl 8-[[3-[(4-methoxybenzoyl)amino]-4-oxo-quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[[[3-[[(4-methoxyphenyl)-oxomethyl]amino]-4-oxo-2-quinazolinyl]thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester IUPAC Name: ethyl 8-[[3-[(4-methoxybenzoyl)amino]-4-oxoquinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[[[4-keto-3-(p-anisoylamino)quinazolin-2-yl]thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester Formula: C28H25N3O7S MolecularWeight: 547.579

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=C1)CSC3=NC4=CC=CC=C4C(=O)N3NC(=O)C5=CC=C(C=C5)OC)OCOC2

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=C1)CSC3=NC4=CC=CC=C4C(=O)N3NC(=O)C5=CC=C(C=C5)OC)OCOC2

InChI

InChI=1S/C28H25N3O7S/c1-3-37-27(34)18-12-19-14-36-16-38-24(19)20(13-18)15-39-28-29-23-7-5-4-6-22(23)26(33)31(28)30-25(32)17-8-10-21(35-2)11-9-17/h4-13H,3,14-16H2,1-2H3,(H,30,32)