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

Systemtic Name: ethyl 4-methyl-2-[[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylmethyl]quinoline-3-carboxylate Openeye Name: ethyl 2-[[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NC4=CC=CC=C4C(=O)N3CCCO)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NC4=CC=CC=C4C(=O)N3CCCO)C

InChI

InChI=1S/C25H25N3O4S/c1-3-32-24(31)22-16(2)17-9-4-6-11-19(17)26-21(22)15-33-25-27-20-12-7-5-10-18(20)23(30)28(25)13-8-14-29/h4-7,9-12,29H,3,8,13-15H2,1-2H3