3-[2-[3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 3-[2-[3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[3-(2-methoxy-5-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[2-[[3-(2-methoxy-5-methylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[[4-keto-3-(2-methoxy-5-methyl-phenyl)quinazolin-2-yl]thio]acetyl]amino]benzoic acid Formula: C25H21N3O5S MolecularWeight: 475.51634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C25H21N3O5S/c1-15-10-11-21(33-2)20(12-15)28-23(30)18-8-3-4-9-19(18)27-25(28)34-14-22(29)26-17-7-5-6-16(13-17)24(31)32/h3-13H,14H2,1-2H3,(H,26,29)(H,31,32)