[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C25H15ClN4O3S MolecularWeight: 486.9296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Cl)C(=O)OCC4=NC5=CC=CC=C5C(=O)N4CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Cl)C(=O)OCC4=NC5=CC=CC=C5C(=O)N4CC#N

InChI

InChI=1S/C25H15ClN4O3S/c26-22-10-9-21(34-22)20-13-17(15-5-1-3-7-18(15)28-20)25(32)33-14-23-29-19-8-4-2-6-16(19)24(31)30(23)12-11-27/h1-10,13H,12,14H2