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

Systemtic Name: ethyl 8-[[4-oxidanylidene-3-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: ethyl 8-[[4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[[[4-oxo-3-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-quinazolinyl]thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester IUPAC Name: ethyl 8-[[4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[[[4-keto-3-[3-(2-ketopyrrolidino)propyl]quinazolin-2-yl]thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester Formula: C27H29N3O6S MolecularWeight: 523.60066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=C1)CSC3=NC4=CC=CC=C4C(=O)N3CCCN5CCCC5=O)OCOC2

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=C1)CSC3=NC4=CC=CC=C4C(=O)N3CCCN5CCCC5=O)OCOC2

InChI

InChI=1S/C27H29N3O6S/c1-2-35-26(33)18-13-19-15-34-17-36-24(19)20(14-18)16-37-27-28-22-8-4-3-7-21(22)25(32)30(27)12-6-11-29-10-5-9-23(29)31/h3-4,7-8,13-14H,2,5-6,9-12,15-17H2,1H3