2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: 2-[[4-(4-chlorophenyl)thiazol-2-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[4-(4-chlorophenyl)-2-thiazolyl]methyl]-4-oxo-1H-quinazoline-7-carboxylate IUPAC Name: 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[4-(4-chlorophenyl)thiazol-2-yl]methyl]-4-keto-1H-quinazoline-7-carboxylate Formula: C19H11ClN3O3S- MolecularWeight: 396.82694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC(=N2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CSC(=N2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)[O-])Cl

InChI

InChI=1S/C19H12ClN3O3S/c20-12-4-1-10(2-5-12)15-9-27-17(22-15)8-16-21-14-7-11(19(25)26)3-6-13(14)18(24)23-16/h1-7,9H,8H2,(H,25,26)(H,21,23,24)/p-1