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

Systemtic Name: 2-[2-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoic acid Openeye Name: 2-[[2-[3-(3,4-dimethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzoic acid CAS Name: 2-[[2-[[3-(3,4-dimethoxyphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoic acid Traditional Name: 2-[[2-[[3-(3,4-dimethoxyphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]benzoic acid Formula: C25H21N3O6S MolecularWeight: 491.51574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4C(=O)O)OC

InChI

InChI=1S/C25H21N3O6S/c1-33-20-12-11-15(13-21(20)34-2)28-23(30)16-7-3-5-9-18(16)27-25(28)35-14-22(29)26-19-10-6-4-8-17(19)24(31)32/h3-13H,14H2,1-2H3,(H,26,29)(H,31,32)