ethyl 4-methyl-2-[[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 2-[[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NC4=CC=CC=C4C(=O)N3CC5CCCO5)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NC4=CC=CC=C4C(=O)N3CC5CCCO5)C

InChI

InChI=1S/C27H27N3O4S/c1-3-33-26(32)24-17(2)19-10-4-6-12-21(19)28-23(24)16-35-27-29-22-13-7-5-11-20(22)25(31)30(27)15-18-9-8-14-34-18/h4-7,10-13,18H,3,8-9,14-16H2,1-2H3