4-oxidanylidene-2-(2-phenoxyethylsulfanyl)-3-(phenylmethyl)quinazoline-7-carboxylic acid

Systemtic Name: 4-oxidanylidene-2-(2-phenoxyethylsulfanyl)-3-(phenylmethyl)quinazoline-7-carboxylic acid Openeye Name: 3-benzyl-4-oxo-2-(2-phenoxyethylsulfanyl)quinazoline-7-carboxylic acid CAS Name: 4-oxo-2-(2-phenoxyethylthio)-3-(phenylmethyl)-7-quinazolinecarboxylic acid IUPAC Name: 3-benzyl-4-oxo-2-(2-phenoxyethylsulfanyl)quinazoline-7-carboxylic acid Traditional Name: 3-benzyl-4-keto-2-(2-phenoxyethylthio)quinazoline-7-carboxylic acid Formula: C24H20N2O4S MolecularWeight: 432.4916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)O)N=C2SCCOC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)O)N=C2SCCOC4=CC=CC=C4

InChI

InChI=1S/C24H20N2O4S/c27-22-20-12-11-18(23(28)29)15-21(20)25-24(26(22)16-17-7-3-1-4-8-17)31-14-13-30-19-9-5-2-6-10-19/h1-12,15H,13-14,16H2,(H,28,29)