(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C23H14ClN3O3S MolecularWeight: 447.89356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

InChI

InChI=1S/C23H14ClN3O3S/c24-13-7-8-15-18(10-13)26-21(27-22(15)28)12-30-23(29)16-11-19(20-6-3-9-31-20)25-17-5-2-1-4-14(16)17/h1-11H,12H2,(H,26,27,28)