2-[2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanylquinazoline-4-carboxylic acid

Systemtic Name: 2-[2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanylquinazoline-4-carboxylic acid Openeye Name: 2-[2-(2,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanylquinazoline-4-carboxylic acid CAS Name: 2-[[2-(2,4-dimethoxyphenyl)-2-oxoethyl]thio]-4-quinazolinecarboxylic acid IUPAC Name: 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazoline-4-carboxylic acid Traditional Name: 2-[[2-(2,4-dimethoxyphenyl)-2-keto-ethyl]thio]quinazoline-4-carboxylic acid Formula: C19H16N2O5S MolecularWeight: 384.40574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)C(=O)O)OC

InChI

InChI=1S/C19H16N2O5S/c1-25-11-7-8-13(16(9-11)26-2)15(22)10-27-19-20-14-6-4-3-5-12(14)17(21-19)18(23)24/h3-9H,10H2,1-2H3,(H,23,24)