(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-(thiophen-3-ylcarbonylamino)benzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-(thiophen-3-ylcarbonylamino)benzoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-(thiophene-3-carbonylamino)benzoate CAS Name: 2-[[oxo(3-thiophenyl)methyl]amino]benzoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-(thiophene-3-carbonylamino)benzoate Traditional Name: 2-(3-thenoylamino)benzoic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C21H14ClN3O4S MolecularWeight: 439.87156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)NC(=O)C4=CSC=C4

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)NC(=O)C4=CSC=C4

InChI

InChI=1S/C21H14ClN3O4S/c22-13-5-6-14-17(9-13)23-18(25-20(14)27)10-29-21(28)15-3-1-2-4-16(15)24-19(26)12-7-8-30-11-12/h1-9,11H,10H2,(H,24,26)(H,23,25,27)