ethyl 8-[[3-(furan-2-ylmethyl)-7-(2-methoxyethylcarbamoyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate

Systemtic Name: ethyl 8-[[3-(furan-2-ylmethyl)-7-(2-methoxyethylcarbamoyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: ethyl 8-[[3-(2-furylmethyl)-7-(2-methoxyethylcarbamoyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[[[3-(2-furanylmethyl)-7-[(2-methoxyethylamino)-oxomethyl]-4-oxo-2-quinazolinyl]thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester IUPAC Name: ethyl 8-[[3-(furan-2-ylmethyl)-7-(2-methoxyethylcarbamoyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[[[3-(2-furfuryl)-4-keto-7-(2-methoxyethylcarbamoyl)quinazolin-2-yl]thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester Formula: C29H29N3O8S MolecularWeight: 579.62086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=C1)CSC3=NC4=C(C=CC(=C4)C(=O)NCCOC)C(=O)N3CC5=CC=CO5)OCOC2

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=C1)CSC3=NC4=C(C=CC(=C4)C(=O)NCCOC)C(=O)N3CC5=CC=CO5)OCOC2

InChI

InChI=1S/C29H29N3O8S/c1-3-38-28(35)19-11-20-15-37-17-40-25(20)21(12-19)16-41-29-31-24-13-18(26(33)30-8-10-36-2)6-7-23(24)27(34)32(29)14-22-5-4-9-39-22/h4-7,9,11-13H,3,8,10,14-17H2,1-2H3,(H,30,33)