4-[2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-[2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-[3-(3-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[2-[[3-(3-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[[4-keto-3-(3-methoxyphenyl)quinazolin-2-yl]thio]acetyl]amino]benzoic acid Formula: C24H19N3O5S MolecularWeight: 461.48976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H19N3O5S/c1-32-18-6-4-5-17(13-18)27-22(29)19-7-2-3-8-20(19)26-24(27)33-14-21(28)25-16-11-9-15(10-12-16)23(30)31/h2-13H,14H2,1H3,(H,25,28)(H,30,31)